HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium thermophilum

External ID: CHEMBL910836

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL614752
ChEMBL Target Name: Bifidobacterium thermophilum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium breve

External ID: CHEMBL910837

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL5209644
ChEMBL Target Name: Bifidobacterium breve
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	1.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	15.6	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL910838

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：NCGC 靶标：

External ID: SNCA-p-activity-luciferase

Protocol: PROTOCOL TABLE
SEQUENCE No. (e.g., 1, 2, 3, etc.); PARAMETER (e.g., Cells, Incubation, Reagent, etc.); VALUE; DESCRIPTION

1; Cells; 4 uL; Dispense 1500 HEK-293-SNCA-luc cells/well into Greiner 1536-well white / solid bottom tissue culture treated plate. The plate was covered with metal lids with gas-exchange holes.
2; Incubate; 24 hours; Incubate at 37C, 5% CO2, 95% RH.
3; Compounds; 23 nL; Compounds and controls were transferred via a Kalypsys Pin Tool (Wako USA) equipped with a 1536-slotted pin array. The plate was covered with metal lids with gas-exchange holes.
4; Incubate; 24 hours; Incubate at 37C, 5% CO2, 95% RH.
5; Dispense; 1 uL; Dispense Gly-Phe-7-amino-4-trifluoromethylcoumarin (GF-AFC, prepared at 125 uM in PBS) was added. The plate was covered with metal lids with gas-exchange holes.
6; Incubate; 30 min; Incubate at 37C, 5% CO2.
7; Detector; Fluorescence; Measure fluorescence with ViewLux microplate reader (PerkinElmer) equipped with 405/10 excitation and 540/25 emission filters.
8; Dispense; 3 uL; Dispense ONE-Glo (PerkinElmer) lucifase detection reagent was added to each well. Plates were covered with metal lids with gas-exchange holes.
9; Incubate; 15 min; Incubate at room temperature.
10; Detector; Luminescence; Measure luminescence with ViewLux microplate reader (PerkinElmer) equipped with clear filters.

NOTES (numbers refer to sequence above)
1; HEK-293-SNCA-luc were cultured and suspended in phenol-red free DMEM (4.5 g/L glucose, 25 mM HEPES, cat #21063 (Thermo)).
3; Compounds were added to the assay plate in an 11-point intra plate dose response, 1:3 titration in DMSO with a final concentration range of xxx - yyy uM. Vehicle-only plates, with DMSO being pin-transferred to every well, were inserted at the beginning of screening runs to confirm expected assay performance. Activity was normalized to wells containing medium only (-100% activity, full inhibition) and SNCA-luc cells treated with DMSO vehicle control (0% activity), contained on the same plate as test samples.
10; Signals were analyzed, and dose-response curves were fit using the Hill equation. Compounds in curve classes -1.1, -1.2, -2.1, -2.2 in the SNCA-luc assay were considered active. Compounds were eliminated from further consideration if also active (curve class -1.1, -1.2, -1.3, -1.4, -2.1, -2.2, -2.3, -2.4) in the GF-AFC cytotoxicity assay.

Comment: Disclaimer:
Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods.

Compound Ranking:
1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, with a ratio activity curve class of 4, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. For a ratio activity curve class = -1.1, score = 80+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 && abs(ratio.max_response) > 6*10, score = 60+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -2.1 || ( ratio.curve_class==-2.2 && abs(ratio.max_response) > 6*10), score = 40+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 || ratio.curve_class == -2.2, score = 20+abs((log_ac50+4.5)*inf_activity/20). Inconclusive compounds, with a donor curve class other than 4, have PUBCHEM_ACTIVITY_SCORE of 10. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39.

Phenotype	Potency	Efficacy	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.079 uM	Activity at 1.068 uM	Activity at 11.39 uM	Activity at 57.25 uM	Compound QC
Inactive				-6.75	4.9549	0.9727	0.0901	17.5	4	0 0 0 1	8.9408	15.9527	-1.5916	1.4969	8.9408	QC'd by Sytravon
Inactive				-5.3	4.095	0.9996	5.5	-7.7823	4	0 0 0 1	-11.1081	-7.5736	-7.7353	5.034	-11.1081	QC'd by Sytravon
Inactive				-5.15	4.9549	0.907	-15.9207	9.5	4	0 0 0 1	17.8725	5.2874	13.9021	-13.6839	17.8725	QC'd by Sytravon
Activator	35.4813	46.4095	Single point of activity	-4.45	2.5884	1	45.9404	-0.4691	3	1 0 0 0	35.593	40.1678	-0.3909	1.933	35.593	QC'd by Sytravon
Activator	39.8107	72.2646	Single point of activity	-4.4	4.9549	0.9515	68.1912	-4.0733	3	0 0 0 0	58.0117	5.8738	-9.2278	-8.5224	58.0117	QC'd by Sytravon
Activator	14.1254	45.3319	Partial curve; partial efficacy; poor fit	-4.85	2.4064	0.9982	40.7728	-4.5591	2.4	1 0 0 0	40.0933	-24.9557	-3.8845	11.5254	40.0933	QC'd by Sytravon
Inactive				-5.75	4.9549	0.9291	-20.6086	33.1545	4	1 0 0 0	-12.8464	45.4569	28.2161	-28.42	-12.8464	QC'd by Sytravon
Inactive				-4.35	4.9549	0.855	-24.2184	-0.5	4	0 0 0 0	-18.932	-3.6477	-2.409	4.988	-18.932	QC'd by Sytravon
Inactive				-4.7	3.6272	0.8625	15	-8.5523	4	0 0 0 0	14.477	-2.951	-13.7936	-5.9646	14.477	QC'd by Sytravon
Inactive				-6.7	4.9549	0.6637	3	-16.864	4	0 0 0 0	8.8169	-15.72	6.3794	-6.3599	8.8169	QC'd by Sytravon
Inactive				-4.75	2.4064	0.9999	21.5	-2.4101	4	1 0 0 0	20.2184	33.3778	-2.4251	3.5771	20.2184	QC'd by Sytravon
Inactive				-4.4	4.9549	0.8117	2.5	-8.345	4	0 0 0 0	1.096	-8.966	-5.5054	-11.1209	1.096	QC'd by Sytravon
Activator	39.8107	38.7945	Single point of activity	-4.4	4.9549	0.6241	41.7557	2.9612	3	0 0 0 0	36.2039	21.355	-6.3904	-4.5325	36.2039	QC'd by Sytravon
Inactive				-6.05	4.095	0.9994	-6.0518	20	4	0 0 0 1	20.5156	19.7377	1.4122	-6.2932	20.5156	QC'd by Sytravon
Inactive				-5.2	4.095	1	10.5	-10.1683	4	1 0 0 1	-15.9884	36.1362	-10.1402	8.7939	-15.9884	QC'd by Sytravon
Inactive				-6.5	1.3905	0.9999	-24.241	0.2745	4	0 0 0 1	-5.5981	-4.3546	-20.7587	-23.9509	-5.5981	QC'd by Sytravon
Inactive				-6.8	4.9549	0.711	-2.4459	21	4	0 0 0 0	-3.3453	17.3219	-9.9549	5.5495	-3.3453	QC'd by Sytravon
Activator	39.8107	47.809	Partial curve; partial efficacy; poor fit	-4.4	4.9549	0.5212	50.2399	2.4309	2.4	0 0 0 0	43.4722	30.2363	-10.9855	-11.5143	43.4722	QC'd by Sytravon
Activator	22.3872	75.5081	Partial curve; high efficacy; poor fit	-4.65	1.9673	0.9829	96.5324	21.0243	2.3	0 0 0 0	86.4985	26.0932	16.3365	36.2613	86.4985	QC'd by Sytravon
Inactive				-6.8	4.9549	0.7429	-1	-13.0738	4	0 0 0 0	1.8063	-11.3115	0.8702	-5.1757	1.8063	QC'd by Sytravon

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium bifidum

External ID: CHEMBL910839

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL4523075
ChEMBL Target Name: Bifidobacterium bifidum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	1.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL910832

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL910833

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	3.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	62.5	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：824 靶标：

External ID: CYP273

Protocol: Tox21 Assay Protocol Summary:

Two ul of enzyme-substrate mix was dispensed into medium binding white/solid 1536-well plates (Greiner Bio-One North America Inc., Monroe, NC) using a BioRaptr Flying Reagent Dispenser (FRD, Beckman Coulter, Brea, CA). Compounds dissolved in DMSO and positive control (furafyllline) were transferred to the assay plates at 23 nl using a Pintool station (Wako, San Diego, CA). The assay plates were incubated at room temperature for 10 min. Then 2 ul of NADPH regeneration solution was added to each well of the assay plates using an FRD and incubated at room temperature for 1 h. The reaction was stopped by adding 4 ul of detection reagent using an FRD and after 20 min incubation at room temperature the luminescence signal was measured using a ViewLux plate reader (Perkin Elmer, Shelton, CT). Data were expressed as relative luminescence units.

Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (http://actor.epa.gov) and NTP (http://tools.niehs.nih.gov/cebs3/ui/).

Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype-Replicate_1	Potency-Replicate_1	Efficacy-Replicate_1	Activity_Score-Replicate_1	Curve_Description-Replicate_1	Fit_LogAC50-Replicate_1	Fit_HillSlope-Replicate_1	Fit_R2-Replicate_1	Fit_InfiniteActivity-Replicate_1	Fit_ZeroActivity-Replicate_1	Fit_CurveClass-Replicate_1	Excluded_Points-Replicate_1	Max_Response-Replicate_1	Activity at 0.0007781017 uM-Replicate_1	Activity at 0.00212 uM-Replicate_1	Activity at 0.00657 uM-Replicate_1	Activity at 0.017 uM-Replicate_1	Activity at 0.038 uM-Replicate_1	Activity at 0.085 uM-Replicate_1	Activity at 0.191 uM-Replicate_1	Activity at 0.435 uM-Replicate_1	Activity at 1.330 uM-Replicate_1	Activity at 4.074 uM-Replicate_1	Activity at 10.46 uM-Replicate_1	Activity at 23.64 uM-Replicate_1	Activity at 52.95 uM-Replicate_1	Activity at 115.2 uM-Replicate_1	Compound QC-Replicate_1	Phenotype-Replicate_2	Potency-Replicate_2	Efficacy-Replicate_2	Activity_Score-Replicate_2	Curve_Description-Replicate_2	Fit_LogAC50-Replicate_2	Fit_HillSlope-Replicate_2	Fit_R2-Replicate_2
Inactive			0					0	0	4		-3.5643		-2.3504	-2.9312	-2.3657	-2.8224	-2.6018	0.0394	2.8539	-0.9099	-0.8614	-3.0049	-2.5808	-0.7	-3.5643	QC'd by SIGMA	Inactive			0
Inactive			0					0	0	4		-4.9449		-1.1401	-4.8828	1.7278	1.7167	-2.1117	-5.6964	0.3933	0.8939	0.1314	-2.7335	3.195	-4.9521	-4.9449	QC'd by SIGMA	Inactive			0
Inactive			0					0	0	4		2.7107		-2.1884	1.3985	1.4582	0.7693	-2.4787	1.52	2.8986	0.9702	-0.0253	2.1293	2.7766	1.539	2.7107	QC'd by Enamine	Inactive			0
Inactive			0					0	0	4		-2.1522		-2.3143	-3.894	-2.3698	3.0635	-2.9724	-0.698	1.807	-0.3874	-2.2387	0.0851	-4.1965	3.0171	-2.1522	QC'd by SIGMA	Inactive			0
Inactive			0		-4.3489	2.2526	0.8543	-15.2749	-1.5	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-14.3957		-1.8486	-1.8251	-1.3415	-0.2999	-5.8043	-1.4625	0.152	0.0394	-2.6869	-2.4228	-2.2664	-9.6519	-14.3957	QC'd by SIGMA	Inactive			0		-4.0989	2.1876	0.881
Inactive			0		-4.3989	1.3443	0.8661	-18.2112	-1	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-16.0093		-2.3466	0.8145	0.3878	-0.5249	-2.2045	-0.0596	-0.3675	-2.1137	-2.5302	-0.6582	-8.8446	-8.7305	-16.0093	QC'd by Acros	Inactive			0		-4.1989	1.6266	0.9372
Inactive			0		-4.3713	1.331	0.7782	-33.4439	-3.503	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-29.5366	-4.0189	-0.7745	-2.4487	-0.7353	-13.4714	-1.9963	-2.0808	-1.5803	-2.9931	-5.0804	-13.0346	-7.2628	-16.8143	-29.5366	QC'd by LightBiologicals	Inactive			0		-4.3713	1.2221	0.9463
Inactive			0		-4.1489	1.6266	0.9461	-28.1716	-1	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-20.143		-1.7608	-0.2388	0.2248	0.5264	-2.4986	-0.1313	-2.2365	-0.2423	-3.4362	-3.0971	-3.2181	-11.2156	-20.143	QC'd by Enamine	Inhibitor	79.6407	31.4916	10	Partial curve; partial efficacy; poor fit	-4.0989	2.5884	0.988
Inhibitor	79.6407	37.8784	10	Partial curve; partial efficacy; poor fit	-4.0989	2.3332	0.6037	-41.3784	-3.5	-2.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-31.1486		0.0477	-0.2424	-0.1109	-17.1482	-2.6043	0.0987	1.3021	-8.8121	-0.6811	-2.6079	-6.0005	-11.8578	-31.1486	QC'd by LightBiologicals	Inhibitor	70.9799	33.8113	10	Partial curve; partial efficacy; poor fit	-4.1489	1.4787	0.9532
Inactive			0		-4.1489	1.331	0.6595	-35.6335	-1	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-26.3612		1.8269	-1.2651	2.0528	-1.3342	-1.1508	-1.3078	-0.329	-8.1235	0.9213	-0.3901	-8.3475	-13.4823	-26.3612	QC'd by LightBiologicals	Inhibitor	63.2609	40.7162	21	Partial curve; partial efficacy	-4.1989	1.5579	0.9889
Inhibitor	31.7055	100.2192	40	Partial curve; high efficacy	-4.4989	1.4163	0.9793	-102.2947	-2.0755	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-88.7975		1.5993	1.9578	-0.4182	-5.9156	-12.3257	-6.8125	0.6301	-0.9357	-7.8675	-21.9718	-39.1747	-68.2733	-88.7975	QC'd by SIGMA	Inhibitor	28.2576	108.4027	40	Partial curve; high efficacy	-4.5489	1.2475	0.9984
Inactive			0		-4.4489	1.5386	0.9285	-23.7863	1	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-21.4885		2.5819	2.144	-0.9228	1.5778	0.3813	-0.7273	-0.0178	0.4803	2.4385	-0.728	-9.9293	-11.8247	-21.4885	QC'd by SIGMA	Inactive			0		-4.3989	1.6259	0.9598
Inhibitor	9.3337	39.8967	21	Complete curve; partial efficacy	-5.0299	2.0437	0.9899	-39.8967	0	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-36.3129	-0.2423	-0.4463	-0.2999	0.6478	0.3636	1.006	-0.4987	1.2825	-1.1546	-7.8589	-17.895	-35.8398	-36.3129		QC'd by LightBiologicals	Inhibitor	11.7504	56.3884	21	Partial curve; partial efficacy	-4.9299	1.111	0.9845
Inhibitor	31.7055	101.4573	40	Partial curve; high efficacy	-4.4989	1.111	0.9982	-102.7597	-1.3024	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-82.349		-1.7206	-3.1014	-1.0307	-0.462	-0.0614	-0.5481	-3.1286	-4.6801	-13.1432	-23.5612	-42.1146	-67.192	-82.349	QC'd by SIGMA	Inhibitor	25.1846	89.5091	40	Partial curve; high efficacy	-4.5989	1.3723	0.9943
Inactive			0		-4.3989	1.3723	0.9408	-30.7143	-1.5	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-27.2619		-3.9038	-4.2597	0.9522	0.2767	-0.086	-3.7725	-0.0863	-0.3476	-4.4856	-5.6587	-11.4378	-17.5999	-27.2619	QC'd by Enamine	Inactive			0		-4.3989	1.3723	0.9104
Inhibitor	0.02	91.5374	95	Complete curve; high efficacy	-7.6989	1.21	0.9985	-95.5053	-3.9679	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-96.9758		-10.1145	-26.2532	-42.3865	-67.4835	-79.9456	-90.8539	-91.593	-94.2489	-95.4721	-96.0956	-96.1267	-97.0582	-96.9758	QC'd by SIGMA	Inhibitor	0.1416	94.8402	91	Complete curve; high efficacy	-6.8489	1.21	0.9987
Inhibitor	70.9799	57.4014	21	Partial curve; partial efficacy	-4.1489	1.4641	0.9678	-60.4859	-3.0846	-2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-45.8227		-1.5241	-1.1304	-2.119	-3.4583	-2.7138	-4.9163	-1.3699	-5.0741	-7.7268	-8.2608	-10.3758	-24.1789	-45.8227	QC'd by TCI	Inhibitor	63.2609	59.3706	21	Partial curve; partial efficacy	-4.1989	1.8265	0.9826
Inhibitor	31.7055	88.4583	40	Partial curve; high efficacy	-4.4989	1.2475	0.9907	-90.0614	-1.6031	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-73.0646		-2.1792	-0.7242	-0.9217	-2.0267	-1.1711	-1.4022	-1.5555	-4.0648	-12.1704	-19.1709	-32.2561	-64.0802	-73.0646	QC'd by SIGMA	Inhibitor	31.7055	86.8385	40	Partial curve; high efficacy	-4.4989	1.111	0.9934
Inhibitor	7.098	99.9448	83	Complete curve; high efficacy	-5.1489	1.3443	0.9949	-102.6257	-2.681	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-98.8687		-2.2636	-1.9377	-0.2674	-0.3864	-3.2139	-8.5636	-4.0834	-14.5383	-36.543	-60.2337	-91.3595	-96.848	-98.8687	QC'd by TCI	Inhibitor	5.6381	99.0727	84	Complete curve; high efficacy	-5.2489	1.6266	0.998
Inhibitor	14.1623	99.522	42	Partial curve; high efficacy	-4.8489	0.7	0.9894	-100.6417	-1.1197	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-88.2822		-1.4919	-2.9847	-0.2649	-1.6478	-3.8502	-2.8959	-7.6423	-18.6375	-36.1235	-44.1844	-53.91	-71.7844	-88.2822	QC'd by SIGMA	Inhibitor	17.8293	95.7742	81	Complete curve; high efficacy	-4.7489	1.21	0.9995

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL910834

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL910835

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL910844

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL910845

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	31.2	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL910846

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	62.5	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL910847

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium bifidum

External ID: CHEMBL910840

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL4523075
ChEMBL Target Name: Bifidobacterium bifidum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium breve

External ID: CHEMBL910841

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL5209644
ChEMBL Target Name: Bifidobacterium breve
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium breve

External ID: CHEMBL910842

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL5209644
ChEMBL Target Name: Bifidobacterium breve
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	1.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL910843

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium bifidum

External ID: CHEMBL910852

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL4523075
ChEMBL Target Name: Bifidobacterium bifidum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	500	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium breve

External ID: CHEMBL910853

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL5209644
ChEMBL Target Name: Bifidobacterium breve
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium breve

External ID: CHEMBL910854

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL5209644
ChEMBL Target Name: Bifidobacterium breve
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL910855

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium thermophilum

External ID: CHEMBL910848

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL614752
ChEMBL Target Name: Bifidobacterium thermophilum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL910849

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：Center for Chemical Genomics, University of Michigan 靶标：N/A

External ID: TargetID_659_CEMA

Protocol: Black, standard capacity streptavidin-coated 384-well plates (Pierce 15407) were first washed with 50 L of phosphate buffer (100 mM, pH 7.0; PB7) three times using a Biotek 405 ELX plate washer. Subsequently, 5 L of biotinylated pre-miRNA substrate (500 nM final) was dispensed into the plate using a Multidrop Combi Reagent Dispenser (Thermo Scientific). Plates were then centrifuged for 1 min at 1,000 RPM (223 g), sealed with plate tape, and incubated overnight at 4 C. The following morning, plates were washed three times with 50 L of PB7, followed by the addition of 5 L of Dicer digest buffer (20 mM Tris, 12 mM NaCl, 2.5 mM MgCl2, 1 mM fresh DTT, and 4.5% DMSO) and centrifugation. Compounds (50 nL of 5 mM DMSO stock, 25 M final) were then added into the sample wells using a Sciclone (Caliper) liquid handler with V&P pintool; the same volume of DMSO was added to the control wells. The plates were incubated at 25 C for 15 min before addition of 5 L of digest buffer containing 217 g/nL Dicer (108 g/mL Dicer, 5% glycerol and 0.01% Triton X-100 final, excess with respect to pre-miRNA). For the positive control wells, digest buffer without Dicer was added. The plates were centrifuged again and resealed before being placed in a 37 C incubator for 5 h. After Dicer cleavage, plates were washed three times with 50 L of PB7. mTet-HRP in PB7 (10 L, 750 nM final) was then dispensed into each well. The plates were subsequently centrifuged, sealed, and incubated at 25 C for 2 h. Plates were then washed three times with 50 L of wash buffer (2 mM imidazole, 260 mM NaCl, 0.5 mM EDTA, 0.1% Tween-20, pH 7.0), followed by washing three additional times with 50 L of PB7. Finally, SuperSignal West Pico (25 L; Pierce) was added, the plates were incubated at 25 C for 5 min, and chemiluminescence signal was detected using a PHERAstar plate reader using LUM plus module (BMG Labtech).

Comment: The activity outcome is based on a Z-score (number of standard deviations from the negative control mean) of 3 or higher on at least 50% times that the sample was screened.

For instance, if the sample was screened in n=4 runs, it would be considered active only if it had a Z-score of 3 or above in at least 2 runs.

Z_SCORE
2.91
-0.56
0.61
2.15
0.54
-0.32
1.12
-0.07
0.61
1.55
-0.77
-0.76
-2.08
0.67
-0.35
0.17
-1.42
-0.64
-5.35
1.42

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium bifidum

External ID: CHEMBL910850

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL4523075
ChEMBL Target Name: Bifidobacterium bifidum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium bifidum

External ID: CHEMBL910851

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL4523075
ChEMBL Target Name: Bifidobacterium bifidum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	1.9	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL912627

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium thermophilum

External ID: CHEMBL912628

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL614752
ChEMBL Target Name: Bifidobacterium thermophilum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL912629

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium bifidum

External ID: CHEMBL912630

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL4523075
ChEMBL Target Name: Bifidobacterium bifidum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL910856

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	62.5	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL910857

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL912625

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL912626

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	62.5	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：824 靶标：N/A

External ID: P53600

Protocol: Tox21 Assay Protocol Summary:

The p53RE-bla cells were dispensed at 4,000 cells/5 ul/well in 1536-well black wall/clear bottom plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 5 hours, 23 nL of compounds dissolved in DMSO, positive controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 16 hours. After 1 uL of LiveBLAzerTM B/G FRET substrate was added using a Flying Reagent Dispenser, the plates were incubated at room temperature for 2 hours, and fluorescence intensity was measured by an Envision plate reader. For cell viability readout that measures cytotoxicity, 4 ul/well of CellTiter-Glo reagent was added into the assay plates using a Flying Reagent Dispenser. After 30 min incubation at room temperature, the luminescence intensity in the plates was measured using a ViewLux plate reader.

Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (https://www.epa.gov/comptox-tools/comptox-chemicals-dashboard) and NTP (https://cebs.niehs.nih.gov/cebs/).
Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype-Replicate_1	Potency-Replicate_1	Efficacy-Replicate_1	Activity_Score-Replicate_1	Curve_Description-Replicate_1	Fit_LogAC50-Replicate_1	Fit_HillSlope-Replicate_1	Fit_R2-Replicate_1	Fit_InfiniteActivity-Replicate_1	Fit_ZeroActivity-Replicate_1	Fit_CurveClass-Replicate_1	Excluded_Points-Replicate_1	Max_Response-Replicate_1	Activity at 0.0002147056 uM-Replicate_1	Activity at 0.0004452702 uM-Replicate_1	Activity at 0.00122 uM-Replicate_1	Activity at 0.00376 uM-Replicate_1	Activity at 0.00955 uM-Replicate_1	Activity at 0.022 uM-Replicate_1	Activity at 0.049 uM-Replicate_1	Activity at 0.109 uM-Replicate_1	Activity at 0.249 uM-Replicate_1	Activity at 0.761 uM-Replicate_1	Activity at 2.332 uM-Replicate_1	Activity at 5.986 uM-Replicate_1	Activity at 13.53 uM-Replicate_1	Activity at 30.31 uM-Replicate_1	Compound QC-Replicate_1	Phenotype-Replicate_2	Potency-Replicate_2	Efficacy-Replicate_2	Activity_Score-Replicate_2	Curve_Description-Replicate_2	Fit_LogAC50-Replicate_2	Fit_HillSlope-Replicate_2	Fit_R2-Replicate_2
Inactive			0					0	0	4		11.6896		0.1156	-13.7941	9.966	13.1631	0.7283	-0.1304	8.4225	0.8152	-0.1007	0.8003	21.2177	-5.0989	11.6896	QC'd by GVK	Inconclusive	22.3492	31.2108	10	Partial curve; partial efficacy; poor fit	-4.6507	4.9549	0.8311
Inactive			0					0	0	4		4.1278		-1.2132	-0.53	1.1724	-13.6008	-15.8488	-1.6086	-19.5261	-1.8403	4.678	2.7612	5.2804	0.2804	4.1278	QC'd by Sequoia	Inactive			0
Inactive			0					0	0	4		-9.8008		3.3194	4.9321	-4.8812	-12.7876	0.3042	9.0414	-8.9499	0.2233	14.0885	8.8057	-15.4411	-4.9694	-9.8008	QC'd by Tocris	Inactive			0
Inactive			0					0	0	4		-1.9756		5.0865	-1.7855	-7.4444	2.244	-1.8222	15.6341	18.1651	21.1103	1.735	-10.9869	3.9713	10.803	-1.9756	QC'd by Microsource	Inactive			0
Inactive			0					0	0	4		6.8595		1.2121	4.5834	-1.1474	27.3306	2.4818	6.3253	9.0191	0.2145	20.7049	1.9499	-9.1091	-8.7044	6.8595	QC'd by SIGMA	Inactive			0
Inactive			0		-4.8007	2.0937	0.6393	33.4297	-12.968	4	0 0 0 0 0 0 0 0 0 0 0 1 0 0 0	25.4284		-14.8066	-9.0853	-13.581	-7.588	-35.7992	-8.9477	-21.4634	-0.5226	-3.9248	8.5216	-5.5843	7.5063	25.4284	QC'd by Microsource	Inactive			0
Inactive			0					0	0	4		-15.007		-3.1282	-9.3591	-0.5916	7.6651	6.9239	5.6473	5.1221	0.1558	2.5991	-1.3526	-6.47	-0.785	-15.007	QC'd by Microsource	Inactive			0
Inactive			0					0	0	4		24.0896	-0.8446	-9.61	-6.0855	0.4511	2.4913	11.0048	8.9822	4.1625	2.5931	15.9487	0.8545	-5.4373	24.0896		QC'd by Vitas	Inactive			0
Inactive			0					0	0	4		-17.6789		1.2698	19.2424	9.9274	-7.4268	6.674	1.6608	-11.9547	-6.5433	-0.1294	7.7321	-0.9298	-3.0587	-17.6789	QC'd by Sequoia	Inactive			0
Inactive			0					0	0	4		-14.1816		-14.8275	2.7074	2.3606	-2.2355	-4.2683	-14.785	-4.9866	-14.5578	0.587	-5.4301	-8.7844	3.5884	-14.1816	QC'd by Microsource	Inactive			0		-9.2007	3.1925	0.6375
Inactive			0					0	0	4		-1.2316		-19.5404	4.6965	-1.2942	-1.6707	0.2407	-15.5972	-0.1313	-8.4723	-7.3738	-1.2089	2.4154	0.8864	-1.2316	QC'd by Sequoia	Inactive			0
Inactive			0					0	0	4		1.5567		-5.7536	13.9638	10.2956	-0.558	0	-1.6824	9.7706	20.988	-2.0143	8.1577	-7.9909	-2.6784	1.5567	QC'd by Vitas	Inactive			0
Inactive			0		-5.0007	1.9673	0.3959	26.0362	-2.4593	4	0 0 0 0 0 0 0 0 0 1 0 0 0 0 1	0.2329		0.7504	-0.0238	-13.0149	0.9141	3.275	7.6	-0.817	-14.5143	33.1589	4.5704	-6.0101	26.6643	0.2329	QC'd by Vitas	Inactive			0		-7.8507	4.9549	0.3764
Inactive			0					0	0	4		0.4996		-11.0079	8.4449	-5.5166	1.0437	-5.3188	4.2154	-11.5318	-0.6828	0.5604	10.3541	-10.0764	-3.3949	0.4996	QC'd by Sequoia	Inactive			0
Inactive			0					0	0	4		-11.2982		1.6112	-9.1508	0.0988	-19.993	-7.1749	16.2891	-28.8965	-0.2185	-13.4455	-15.182	-7.408	7.9797	-11.2982	QC'd by SIGMA	Inactive			0
Cytotoxic	0.0013	29.3714	20	Complete curve; partial efficacy; poor fit	-8.9007	4.9549	0.6762	-1.9308	27.4406	-1.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	2.0843		27.3803	22.2956	-1.7991	-14.5009	-13.0557	-1.2796	1.8292	-4.6846	2.1858	-2.8019	1.1528	12.6784	2.0843	QC'd by Microsource	Inactive			0
Cytotoxic	22.3492	37.1435	20	Single point of activity	-4.6507	4.9549	0.6826	-37.6249	-0.4814	-3	0 0 0 0 0 0 1 0 0 0 0 0 0 0 0	-35.0886		-10.0183	-3.7848	0.9269	8.3299	5.9716	51.8329	-7.9197	-7.1011	9.7258	-3.0119	-1.8254	0.4137	-35.0886	QC'd by Microsource	Cytotoxic	19.9188	41.0567	20	Single point of activity	-4.7007	4.5045	0.7845
Inactive			0					0	0	4		-8.2053		4.878	-0.884	3.033	-7.5451	16.823	-9.319	7.5268	3.3384	-2.1505	-2.9445	-18.3014	-0.1048	-8.2053	QC'd by Specs	Inconclusive	25.0762	43.0376	10	Single point of activity	-4.6007	4.9549	0.5622
Inactive			0					0	0	4		20.7665		0.8148	12.6127	9.9828	-12.2215	0.4404	0.7956	-15.5627	1.1625	-6.8259	6.0669	-0.0505	-1.1967	20.7665	QC'd by Prestwick Chemical; Inc.	Inconclusive	22.3492	34.5625	10	Single point of activity	-4.6507	4.095	0.9286
Inconclusive	8.8974	37.7382	10	Single point of activity	-5.0507	3.132	0.7183	38.1513	0.4131	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-5.9594		1.4009	4.8903	7.6788	-4.8095	-4.8507	-6.912	-0.4163	-7.5822	1.5943	4.8884	4.7684	42.6535	-5.9594	QC'd by Microsource	Inactive			0

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL912635

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	500	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：824 靶标：N/A

External ID: P53MS958

Protocol: Tox21 Assay Protocol Summary:

The p53RE-bla cells were dispensed at 4,000cells/3ul/well in 1536-well black-clear bottom plates. After the assay plates were incubated at 37 C, 5% CO2 incubator for 5 hours, 23 nL of compounds dissolved in DMSO, positive controls or DMSO only was transferred to the assay plate. Following compound addition, 3 uL of rat liver microsomes (Molecular Toxicology, Boone, NC) at final concentration of 0.5 mg/mL and 1uL of B-Nicotinamide adenine dinucleotide 2'-phosphate (NADPH) at final concentration of 0.5 mg/mL were transferred to the assay plate. The plates were incubated at 37 C for 16 hours. 1 uL of LiveBLAzer detection mixture was added to each well and the plates were incubated at room temperature in the dark for 2 h. Fluorescence intensity at 460 and 530 nm emission and 405 nm excitation were measured by an Envision plate reader. For cell viability readout that measures cytotoxicity, 4 ul/well of CellTiter-Glo reagent was added into the assay plates using a Flying Reagent Dispenser. After 30 min incubation at room temperature, the luminescence intensity in the plates was measured using a ViewLux plate reader.

Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (https://www.epa.gov/comptox-tools/comptox-chemicals-dashboard) and NTP (https://cebs.niehs.nih.gov/cebs/).

Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype-Replicate_1	Potency-Replicate_1	Efficacy-Replicate_1	Activity_Score-Replicate_1	Curve_Description-Replicate_1	Fit_LogAC50-Replicate_1	Fit_HillSlope-Replicate_1	Fit_R2-Replicate_1	Fit_InfiniteActivity-Replicate_1	Fit_ZeroActivity-Replicate_1	Fit_CurveClass-Replicate_1	Excluded_Points-Replicate_1	Max_Response-Replicate_1	Activity at 0.0004426192 uM-Replicate_1	Activity at 0.00122 uM-Replicate_1	Activity at 0.00372 uM-Replicate_1	Activity at 0.00957 uM-Replicate_1	Activity at 0.022 uM-Replicate_1	Activity at 0.049 uM-Replicate_1	Activity at 0.109 uM-Replicate_1	Activity at 0.249 uM-Replicate_1	Activity at 0.768 uM-Replicate_1	Activity at 2.332 uM-Replicate_1	Activity at 5.986 uM-Replicate_1	Activity at 13.53 uM-Replicate_1	Activity at 30.31 uM-Replicate_1	Activity at 65.96 uM-Replicate_1	Activity at 171.5 uM-Replicate_1	Compound QC-Replicate_1	Phenotype-Replicate_2	Potency-Replicate_2	Efficacy-Replicate_2	Activity_Score-Replicate_2	Curve_Description-Replicate_2	Fit_LogAC50-Replicate_2	Fit_HillSlope-Replicate_2	Fit_R2-Replicate_2
Inactive			0					0	0	4		15.4129	-0.3878	-0.1864	5.3734	8.8557	-0.2927	2.5035	-10.205	-0.222	7.988	-2.289	1.5276	5.4979	15.4129			QC'd by ACC	Inactive			0
Inactive			0		-9.3007	4.9549	0.8113	1	-17.7078	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	1.0149	-13.0899	3.2756	-1.3214	1.1832	1.8535	-0.3978	-0.428	2.5506	-0.2457	1.4918	1.6887	0.5586	1.0149			QC'd by ACC	Inactive			0
Inactive			0					0	0	4		0.0279	-7.8342	-1.8994	2.1696	0.5638	-6.739	2.6266	-0.5097	0.7319	5.3764	-7.7238	-0.0674	7.0278	0.0279			QC'd by ACC	Inactive			0
Inactive			0					0	0	4		1.3878	6.2872	11.3346	-1.3585	6.9465	-2.5858	5.0519	-2.568	9.002	1.6411	-1.7292	7.0083	1.0774	1.3878			QC'd by ACC	Inactive			0		-5.4507	2.4064	0.4602
Inactive			0					0	0	4		-6.0549		-14.8117	-16.0755	-3.9155	-14.9771	-10.937	-32.5334	-11.953	1.4447	-12.5843	-18.1191	-11.5121	-10.2319	-6.0549		QC'd by RTI	Inactive			0
Inactive			0					0	0	4		-22.5649		-3.3758	-16.2168	-4.5428	-4.5151	0.1292	-2.6754	-23.201	-8.3262	-3.0518	-1.1305	-3.6383	-2.6115	-22.5649		QC'd by RTI	Inactive			0		-8.5991	0.8	0.691
Inactive			0					0	0	4		-0.2302		-3.0733	-11.9553	1.9394	-0.062	-0.7676	-9.0695	-1.0953	1.199	-3.6509	-10.3544	-18.6262	-9.6473	-0.2302		QC'd by RTI	Inactive			0		-4.2029	4.9549	0.345
Inactive			0					0	0	4		-31.97		-9.3562	-1.8629	-4.3936	-8.3595	-10.443	-39.3827	-2.5072	0.5437	2.3156	-5.5145	-4.9746	-4.5578	-31.97		QC'd by RTI	Inactive			0
Cytotoxic	48.9365	40.0161	20	Single point of activity	-4.3104	4.9549	0.9076	-41.0161	-1	-3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	0.8752			-0.1555	-0.1471	-0.8611	0.5088	-1.6221	1.8567	-5.5667	-4.2674	0.6449	-1.1659	-1.471	-37.9779	0.8752	QC'd by RTI	Inactive			0
Inactive			0		-4.481	2.2526	0.6231	-17.4881	-0.5	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-14.1568		-8.0428	-0.6235	6.2346	-0.9991	-1.4487	1.2877	-1.8288	2.3924	-2.4336	-0.4068	-0.0819	-10.8685	-14.1568		QC'd by RTI	Inactive			0
Inactive			0		-4.1546	4.9549	0.3365	-27.5382	0.415	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-21.2464		0.0979	-1.0938	2.8926	1.6864	2.0417	-11.5049	-1.0007	4.8753	2.0771	-10.2149	19.6036	-0.4282	-21.2464		QC'd by RTI	Inactive			0		-4.3546	3.9295	0.4572
Cytotoxic	1.9094	62.994	20	Single point of activity	-5.7191	4.9549	0.8427	-65.284	-2.29	-3	0 0 0 0 0 0 0 0 0 0 0 1 1 1 1	21.2448		-4.4527	-11.9693	-0.7569	-1.6777	0.0603	-12.8898	1.418	3.8556	-64.004	-3.1258	19.1497	30.6602	21.2448		QC'd by RTI	Inconclusive	26.9703	39.1016	10	Partial curve; partial efficacy	-4.5691	2.4064	0.8048
Inactive			0		-5.7359	4.9549	0.4398	-11.7095	0.5	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-18.5079		-13.1487	-1.1345	3.0113	7.6647	-1.7607	4.9509	1.4274	0.7821	-7.5706	-10.5531	-11.2568	-1.1121	-18.5079		QC'd by RTI	Inactive			0		-5.1359	3.99	0.4729
Inactive			0		-4.9174	4.9549	0.4007	15	0.5138	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-8.2124		-6.4957	-1.3437	6.2452	6.8209	-1.5109	-0.1876	12.4836	3.7645	-4.0819	-5.9838	12.9291	13.901	-8.2124		QC'd by RTI	Inactive			0
Inactive			0					0	0	4		-4.3099		10.7843	-0.2327	-5.3222	6.8375	-6.6463	3.8223	1.0114	17.173	-2.6803	4.8346	-1.5527	-1.3315	-4.3099		QC'd by RTI	Inactive			0
Inactive			0		-4.7864	4.9549	0.4643	-0.5	-6.9436	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-2.3412		-9.0513	-3.5748	-2.3634	-8.2237	-8.0106	-6.3527	-9.1377	-10.7863	-6.9009	-9.556	-4.6356	1.3663	-2.3412		QC'd by RTI	Inactive			0
Inactive			0					0	0	4		3.8948		-9.18	-4.528	-7.8262	-5.2818	0.1213	-2.8514	-5.2781	0.1417	1.4481	-10.2808	0.2144	5.4084	3.8948		QC'd by RTI	Inactive			0		-4.2782	4.045	0.5133
Inactive			0					0	0	4		0.9309		-0.3627	-0.7959	-0.2919	4.6133	-6.4513	6.0767	0.3729	5.2282	2.4365	-0.3736	-6.4407	1.1984	0.9309		QC'd by RTI	Inactive			0
Inactive			0					0	0	4		4.6175		-2.446	-2.9779	4.9649	8.591	-3.7225	-1.2932	7.626	5.5698	5.4665	0.6182	12.5651	0.3961	4.6175		QC'd by RTI	Inactive			0
Inactive			0					0	0	4		1.1614		1.1137	0.8635	-2.0253	-1.3109	-1.0103	-7.7297	-0.0773	0.3904	-0.9231	-0.2649	-8.9909	1.455	1.1614		QC'd by RTI	Inactive			0

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL912636

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：824 靶标：

External ID: P53MS482

Protocol: Please refer to other AIDs 1963578, 1963580, 720687, 720685, 720678 and 720681 for detailed assay protocols.

Comment: This summary is written for the purposes of summarizing the compound activities from the project combining the results from both the p53 with rat microsomes agonist mode assay (AID 1963578), cell viability counter screen (AID 1963580), and auto fluorescence counter screens (AID 720687, 720685, 720678, and 720681). For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Potency and efficacy were used for determining relative score. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 5 and 30 determined by phenotype.

Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (https://www.epa.gov/comptox-tools/comptox-chemicals-dashboard) and NTP (https://cebs.niehs.nih.gov/cebs/).

Activity Summary	Ratio Activity	530 nm Activity	530 nm Efficacy (%)	460 nm Activity	460 nm Efficacy (%)	Viability Activity	Viability Potency (uM)	Viability Efficacy (%)	Blue (460 nm) auto fluorescence outcome	Sample Source
inactive	inactive	inactive	0	inactive	0	active antagonist	37.95478669	-56.89862383	inactive	Rohm and Haas
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	Pfaltz-Bauer
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	Radian International
inactive	inactive	inactive	0	inactive	0	inconclusive antagonist			inactive	Spectrum Chemical
inactive	inactive	inconclusive agonist		inactive	0	inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SigmaAldrich
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	Battelle Northwest
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inconclusive agonist		inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inactive	0	active antagonist	11.47389904	-137.559426	inactive	TCI
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inactive	0	inconclusive			inactive	SigmaAldrich
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SIGMA
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	Shanghai Xingling
inactive	inactive	inactive	0	inactive	0	inactive		0	inactive	SIGMA

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL912637

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1
MIC	=	125	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：824 靶标：

External ID: P53344

Protocol: Tox21 Assay Protocol Summary:

The p53RE-bla cells were dispensed at 4,000 cells/5 ul/well in 1536-well black wall/clear bottom plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 5 hours, 23 nL of compounds dissolved in DMSO, positive controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 16 hours. After 1 uL of LiveBLAzerTM B/G FRET substrate was added using a Flying Reagent Dispenser, the plates were incubated at room temperature for 2 hours, and fluorescence intensity was measured by an Envision plate reader.

Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (https://www.epa.gov/comptox-tools/comptox-chemicals-dashboard) and NTP (https://cebs.niehs.nih.gov/cebs/).

Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent activators are ranked higher than compounds that showed apparent inhibition.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype-Replicate_1	Potency-Replicate_1	Efficacy-Replicate_1	W530-Activity_Score-Replicate_1	W530-Curve_Description-Replicate_1	W530-Fit_LogAC50-Replicate_1	W530-Fit_HillSlope-Replicate_1	W530-Fit_R2-Replicate_1	W530-Fit_InfiniteActivity-Replicate_1	W530-Fit_ZeroActivity-Replicate_1	W530-Fit_CurveClass-Replicate_1	W530-Excluded_Points-Replicate_1	W530-Max_Response-Replicate_1	W530-Activity at 0.0004452702 uM-Replicate_1	W530-Activity at 0.00122 uM-Replicate_1	W530-Activity at 0.00376 uM-Replicate_1	W530-Activity at 0.00955 uM-Replicate_1	W530-Activity at 0.022 uM-Replicate_1	W530-Activity at 0.049 uM-Replicate_1	W530-Activity at 0.109 uM-Replicate_1	W530-Activity at 0.249 uM-Replicate_1	W530-Activity at 0.761 uM-Replicate_1	W530-Activity at 2.332 uM-Replicate_1	W530-Activity at 5.986 uM-Replicate_1	W530-Activity at 13.53 uM-Replicate_1	W530-Activity at 30.31 uM-Replicate_1	W530-Activity at 65.96 uM-Replicate_1	W530-Activity at 171.5 uM-Replicate_1	Ratio-Activity_Score-Replicate_1	Ratio-Fit_LogAC50-Replicate_1	Ratio-Fit_HillSlope-Replicate_1	Ratio-Fit_R2-Replicate_1	Ratio-Fit_InfiniteActivity-Replicate_1	Ratio-Fit_CurveClass-Replicate_1	Ratio-Excluded_Points-Replicate_1	Ratio-Max_Response-Replicate_1
Inactive			10					0	0	4		-2.7054	-0.7429	17.6324	-5.7098	-2.4442	-8.8689	-8.4492	3.8566	4.895	1.316	-4.2342	-2.2173	-1.3067	-2.7054			10				0	4		-0.008
Inactive			10					0	0	4		-9.2163	-14.9806	0.5352	-3.1889	-1.8749	3.657	-6.4032	0.8343	6.0995	15.9738	1.8503	-6.6623	-7.3549	-9.2163			10				0	4		0.5551
Inconclusive	15.822	81.8735	10	Partial curve; high efficacy	-4.8007	1.4641	0.9428	83.8685	1.995	2.1	1 0 0 0 0 0 0 0 0 0 0 0 0 0 0	63.7671	-25.235	0.7259	4.982	3.8964	-6.011	-7.5042	3.0243	-0.3631	8.5802	9.5528	14.3381	43.8791	63.7671			10	-5.1507	1.4163	0.6697	-11.5276	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-9.41
Inactive			10					0	0	4		-7.6036	0.157	-0.8011	-9.9636	-13.0521	-10.3016	-8.2965	-19.3101	-11.1767	-1.8658	-10.3506	-0.2558	-4.7484	-7.6036			10				0	4		0.7786
Inactive			10					0	0	4		-1.2598		0.1872	13.288	5.1104	6.5295	0.1337	-12.0409	-9.1695	5.191	0.756	-5.7729	-4.0643	11.1384	-1.2598		10				0	4		0.0274
Inactive			10		-4.7991	0.6	0.5308	-18.2002	2.5	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-12.6668		2.1379	0.7336	1.9979	11.8819	1.0068	-5.4624	-1.9113	4.135	-9.1428	-3.5388	-7.7512	-8.3149	-12.6668		10				0	4		2.1474
Inactive			10					0	0	4		0.12		0.621	6.7375	1.2986	2.9613	8.4418	-20.9196	-8.3637	2.5119	-0.9643	-3.0517	0.9872	0.4528	0.12		10				0	4		0.1505
Inactive			10					0	0	4		-3.3415		4.8601	-0.0593	3.1313	2.4927	11.5913	-1.4902	-13.745	1.9094	-3.6114	0.1775	5.8982	-1.925	-3.3415		10				0	4		0.1916
Inactive			10					0	0	4		4.6876			4.0372	0.4326	1.7117	-5.3633	0.0124	4.0939	3.2901	1.8675	-5.3582	9.301	-3.3996	-6.6539	4.6876	10				0	4		-0.8649
Inactive			10					0	0	4		14.4502		1.1662	-13.4728	-0.0689	2.7591	-5.585	-15.2304	-11.6037	8.2866	-5.5508	8.036	-4.6022	-4.8458	14.4502		10				0	4		-3.7942
Inactive			10		-4.6046	1.111	0.5767	31.0459	-6.106	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	26.6548		-7.6451	-2.6127	-0.4371	-10.6818	-11.9326	0.5693	-21.225	10.609	-17.0979	1.0116	13.8986	9.8034	26.6548		10				0	4		-1.0538
Inconclusive	15.1665	45.6836	10	Partial curve; partial efficacy	-4.8191	0.6	0.7759	41.0698	-4.6138	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	32.1055		-2.8274	-2.7391	1.8943	-2.4675	-16.4634	-3.3416	-2.3164	7.0983	0.3384	15.5256	17.1562	18.433	32.1055		10				0	4		0.1046
Inactive			10		-4.6859	4.5045	0.565	18	-4.2358	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	5.1259		-0.5226	-4.0178	-6.8476	-0.1323	-11.918	-14.7798	-1.343	-0.6951	-0.0477	-3.8234	-0.1579	15.3645	5.1259		10				0	4		-0.8015
Inactive			10					0	0	4		-2.5719		2.1271	-15.6379	-9.9458	-0.0566	-1.3009	-10.3345	-4.7309	0.793	0.4322	-6.2117	6.0155	-0.1149	-2.5719		10				0	4		-0.2737
Inactive			10		-4.4291	1	0.3508	16	0.5847	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	14.0307		2.8758	-1.4333	-4.0961	8.1324	-0.1788	-1.8365	-3.4046	0.9687	5.3392	5.7496	0.6343	6.7886	14.0307		10				0	4		-0.3011
Inactive			10		-5.8864	4.9549	0.4604	10	-0.3033	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	14.8111		1.6565	1.7889	0.1435	-7.595	-1.0692	10.2681	0.1065	-11.5027	7.3701	4.692	15.9518	6.4878	14.8111		10				0	4		-6.6938
Inactive			10					0	0	4		12.7057		5.9474	3.1219	0.9114	-1.9346	10.2726	2.0269	-12.6992	-5.0188	5.3788	-5.1369	-2.8688	15.7676	12.7057		10				0	4		-1.5792
Inactive			10					0	0	4		8.0685		-3.4653	-4.8521	1.4938	4.6762	15.0539	-6.5066	-14.5768	0.9838	-2.9324	5.0279	5.5026	5.5498	8.0685		10				0	4		-2.3647
Inactive			10					0	0	4		0.2127		3.5618	-0.8648	4.6685	10.1269	7.869	-0.1186	7.8879	6.9176	3.7172	4.376	9.7145	-1.7685	0.2127		10				0	4		-0.1916
Inactive			10					0	0	4		15.6817		9.5665	-3.9506	1.96	3.0139	-1.3021	5.9929	-15.2459	1.9827	2.5676	5.4228	7.3704	2.7862	15.6817		10				0	4		-3.34

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium thermophilum

External ID: CHEMBL912638

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL614752
ChEMBL Target Name: Bifidobacterium thermophilum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	500	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：824 靶标：tumor suppressor p53 [Homo sapiens]

External ID: P53MS233

Protocol: Tox21 Assay Protocol Summary:

The p53RE-bla cells were dispensed at 4,000cells/3ul/well in 1536-well black-clear bottom plates. After the assay plates were incubated at 37 C, 5% CO2 incubator for 5 hours, 23 nL of compounds dissolved in DMSO, positive controls or DMSO only was transferred to the assay plate. Following compound addition, 3 uL of human liver microsomes (XenoTech, Kansas City, KS) at final concentration of 0.5 mg/mL and 1uL of Beta-Nicotinamide adenine dinucleotide 2-phosphate (NADPH) at final concentration of 0.5 mg/mL were transferred to the assay plate. The plates were incubated at 37 C for 16 hours. 1 uL of LiveBLAzer detection mixture was added to each well and the plates were incubated at room temperature in the dark for 2 h. Fluorescence intensity at 460 and 530 nm emission and 405 nm excitation were measured by an Envision plate reader.

Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (https://www.epa.gov/comptox-tools/comptox-chemicals-dashboard) and NTP (https://cebs.niehs.nih.gov/cebs/).

Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent activators are ranked higher than compounds that showed apparent inhibition.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype-Replicate_1	Potency-Replicate_1	Efficacy-Replicate_1	W530-Activity_Score-Replicate_1	W530-Curve_Description-Replicate_1	W530-Fit_LogAC50-Replicate_1	W530-Fit_HillSlope-Replicate_1	W530-Fit_R2-Replicate_1	W530-Fit_InfiniteActivity-Replicate_1	W530-Fit_ZeroActivity-Replicate_1	W530-Fit_CurveClass-Replicate_1	W530-Excluded_Points-Replicate_1	W530-Max_Response-Replicate_1	W530-Activity at 0.0004423865 uM-Replicate_1	W530-Activity at 0.00121 uM-Replicate_1	W530-Activity at 0.00372 uM-Replicate_1	W530-Activity at 0.00955 uM-Replicate_1	W530-Activity at 0.022 uM-Replicate_1	W530-Activity at 0.049 uM-Replicate_1	W530-Activity at 0.109 uM-Replicate_1	W530-Activity at 0.249 uM-Replicate_1	W530-Activity at 0.761 uM-Replicate_1	W530-Activity at 2.332 uM-Replicate_1	W530-Activity at 5.986 uM-Replicate_1	W530-Activity at 13.53 uM-Replicate_1	W530-Activity at 30.31 uM-Replicate_1	W530-Activity at 65.96 uM-Replicate_1	W530-Activity at 171.5 uM-Replicate_1	Ratio-Activity_Score-Replicate_1	Ratio-Fit_LogAC50-Replicate_1	Ratio-Fit_HillSlope-Replicate_1	Ratio-Fit_R2-Replicate_1	Ratio-Fit_InfiniteActivity-Replicate_1	Ratio-Fit_ZeroActivity-Replicate_1	Ratio-Fit_CurveClass-Replicate_1	Ratio-Excluded_Points-Replicate_1	Ratio-Max_Response-Replicate_1
Inactive			10		-5.2007	3.99	0.3607	-2.5677	7	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-0.9458	10.0301	10.7443	4.3442	-5.0565	9.9742	2.9519	14.2428	8.7646	10.7379	6.4983	2.3813	-4.5519	-0.9458			10				0	0	4.0000		-0.4661
Inactive			10		-5.6507	4.9549	0.5456	-1.9439	8	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	5.0846	9.4973	3.8196	8.4513	-0.6191	10.3625	9.4337	13.7782	10.2703	4.6963	5.4408	-1.6199	-1.4599	5.0846			10				0	0	4.0000		1.5918
Inactive			10		-5.5507	0.2	0.4701	18	-0.2018	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	11.2543	-1.0015	3.7564	6.8997	4.7974	2.834	2.8762	6.534	7.2469	0.7584	12.1629	8.9002	9.75	11.2543			10				0	0	4.0000		-5.5377
Inactive			10					0	0	4		1.163	-3.5161	1.707	-1.8835	-3.4699	1.989	0.1035	1.2453	-2.9592	-3.6379	-2.9446	-1.8761	-0.9379	1.163			10				0	0	4.0000		0.1358
Inconclusive			10					0	0	4		16.8593		32.7363	5.0205	23.2355	3.3321	15.0249	-2.9056	6.994	9.4947	8.3439	1.2576	-2.0333	-2.2902	16.8593		10				0	0	4.0000		9.1878
Inconclusive			10					0	0	4		-2.1455		-0.5563	9.4172	7.735	2.0394	6.4249	3.6266	2.9095	8.6089	-4.7033	-4.0095	20.1187	3.2965	-2.1455		10				0	0	4.0000		7.8923
Inactive			10					0	0	4		-3.6657		5.6428	9.1238	-0.7154	5.0078	3.346	10.689	4.0221	9.9652	10.0921	17.6894	-0.248	11.5526	-3.6657		10				0	0	4.0000		14.7162
Inconclusive			10					0	0	4		4.2675		-5.7932	3.7102	6.3991	10.699	10.5188	6.8431	-0.2658	18.5884	3.9034	14.1602	0.4119	8.9875	4.2675		10				0	0	4.0000		6.5135
Inactive			10					0	0	4		9.8662			18.2624	5.8048	17.493	14.1548	9.8254	8.1605	9.9472	16.2794	14.1774	17.855	10.5395	17.0919	9.8662	10				0	0	4.0000		-5.4950
Inactive			10					0	0	4		-5.3297		12.33	1.7312	-5.4996	11.4558	-3.7249	9.2807	2.3157	5.4416	3.6649	8.3663	3.0993	11.8517	-5.3297		10				0	0	4.0000		-5.3240
Inconclusive	70.047	72.3484	10	Partial curve; high efficacy; poor fit	-4.1546	0.8	0.6385	105.6289	33.2805	2.3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	80.2119		34.4731	40.8129	39.5687	32.4056	24.6827	27.5674	30.3915	41.0003	32.3409	43.7448	58.281	46.3032	80.2119		10				0	0	4.0000		-2.1350
Inconclusive	19.0935	34.349	10	Partial curve; partial efficacy; poor fit	-4.7191	4.9549	0.7411	-28.1015	6.2475	-2.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	1.531		10.9714	8.5429	7.493	10.6748	-2.691	-2.1743	-2.2635	9.1955	9.2633	3.8691	0.8178	-29.0367	1.531		10	-5.0191	4.9549	0.7341	18.5000	-1.0473	4.0000	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	1.7941
Inactive			10		-5.3359	4.9549	0.4604	14	1.0951	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	24.7756		-3.8722	8.9743	-3.2433	1.4147	-5.3374	6.5468	-1.0407	1.0629	-0.6396	15.0123	12.8558	2.9442	24.7756		10				0	0	4.0000		4.5021
Inactive			10					0	0	4		7.4103		8.8732	3.5826	-6.8276	-3.4004	5.1085	7.12	5.992	17.8859	0.766	15.2069	-2.5857	-2.3893	7.4103		10				0	0	4.0000		-2.5566
Inactive			10					0	0	4		-1.2866		-1.866	3.7925	6.24	4.977	15.9538	13.6074	9.9289	8.2854	8.2144	14.3668	8.1213	-0.9202	-1.2866		10				0	0	4.0000		-3.9577
Inconclusive			10					0	0	4		23.9917		0.9944	-3.9638	1.6872	21.1437	2.2658	12.9723	12.033	23.9419	1.4937	-3.191	3.4	-3.9206	23.9917		10				0	0	4.0000		6.2522
Inactive			10					0	0	4		-4.5666		0.7965	-6.9681	-2.2018	0.034	-1.9981	0.8299	-0.3127	-3.4977	-3.323	0.2547	1.8446	-8.8778	-4.5666		10				0	0	4.0000		2.4663
Inactive			10		-7.0215	3.5117	0.3471	8	0.3034	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	10.5722		-4.1856	4.1964	3.9575	-4.3305	-3.4317	7.701	7.9063	11.3908	9.3587	10.9552	-1.39	4.1031	10.5722		10				0	0	4.0000		1.0750
Inactive			10					0	0	4		-3.6422		1.9722	16.7669	-4.364	-3.7771	-2.0281	1.2212	-1.9042	-4.0395	-1.3596	-5.395	-2.4515	-3.7855	-3.6422		10				0	0	4.0000		4.9536
Inactive			10					0	0	4		16.4401		-5.2778	3.8363	-0.2997	18.8033	-3.8871	5.636	13.5363	16.465	6.7362	1.2849	3.6809	5.8114	16.4401		10				0	0	4.0000		4.3898

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium bifidum

External ID: CHEMBL912631

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL4523075
ChEMBL Target Name: Bifidobacterium bifidum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium breve

External ID: CHEMBL912632

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL5209644
ChEMBL Target Name: Bifidobacterium breve
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	=	3.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	31.2	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	500	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：824 靶标：N/A

External ID: P53MS837

Protocol: Tox21 Assay Protocol Summary:

The p53RE-bla cells were dispensed at 4,000cells/3ul/well in 1536-well black-clear bottom plates. After the assay plates were incubated at 37 C, 5% CO2 incubator for 5 hours, 23 nL of compounds dissolved in DMSO, positive controls or DMSO only was transferred to the assay plate. Following compound addition, 3 uL of human liver microsomes (XenoTech, Kansas City, KS) at final concentration of 0.5 mg/mL and 1uL of B-Nicotinamide adenine dinucleotide 2'-phosphate (NADPH) at final concentration of 0.5 mg/mL were transferred to the assay plate. The plates were incubated at 37 C for 16 hours. 1 uL of LiveBLAzer detection mixture was added to each well and the plates were incubated at room temperature in the dark for 2 h. Fluorescence intensity at 460 and 530 nm emission and 405 nm excitation were measured by an Envision plate reader. For cell viability readout that measures cytotoxicity, 4 ul/well of CellTiter-Glo reagent was added into the assay plates using a Flying Reagent Dispenser. After 30 min incubation at room temperature, the luminescence intensity in the plates was measured using a ViewLux plate reader.

Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (https://www.epa.gov/comptox-tools/comptox-chemicals-dashboard) and NTP (https://cebs.niehs.nih.gov/cebs/).
Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype-Replicate_1	Potency-Replicate_1	Efficacy-Replicate_1	Activity_Score-Replicate_1	Curve_Description-Replicate_1	Fit_LogAC50-Replicate_1	Fit_HillSlope-Replicate_1	Fit_R2-Replicate_1	Fit_InfiniteActivity-Replicate_1	Fit_ZeroActivity-Replicate_1	Fit_CurveClass-Replicate_1	Excluded_Points-Replicate_1	Max_Response-Replicate_1	Activity at 0.0002143310 uM-Replicate_1	Activity at 0.0004423865 uM-Replicate_1	Activity at 0.00121 uM-Replicate_1	Activity at 0.00372 uM-Replicate_1	Activity at 0.00955 uM-Replicate_1	Activity at 0.022 uM-Replicate_1	Activity at 0.049 uM-Replicate_1	Activity at 0.109 uM-Replicate_1	Activity at 0.249 uM-Replicate_1	Activity at 0.761 uM-Replicate_1	Activity at 2.332 uM-Replicate_1	Activity at 5.986 uM-Replicate_1	Activity at 13.53 uM-Replicate_1	Activity at 30.31 uM-Replicate_1	Activity at 65.96 uM-Replicate_1	Compound QC-Replicate_1	Phenotype-Replicate_2	Potency-Replicate_2	Efficacy-Replicate_2	Activity_Score-Replicate_2	Curve_Description-Replicate_2	Fit_LogAC50-Replicate_2	Fit_HillSlope-Replicate_2	Fit_R2-Replicate_2
Inactive			0					0	0	4		-0.8115			3.2417	1.7036	-3.8863	3.7005	1.9092	3.4611	2.6238	3.4217	1.9618	4.5532	-2.1817	-2.0587	-0.8115	QC'd by SIGMA	Inactive			0
Inactive			0					0	0	4		2.0264			1.2778	0.4063	3.132	-0.9617	8.3974	0.8026	0.3862	5.0854	1.0387	0.9649	0.3139	2.1909	2.0264	QC'd by Sigma DiscoveryCPR	Inactive			0		-6.0396	3.99	0.6227
Inactive			0					0	0	4		-0.0783	0.8602	-0.4313	0.7753	3.3389	-7.0743	0.1475	-4.9244	-5.606	1.2881	1.431	-5.9165	-1.5861	3.3747	-0.0783		QC'd by SIGMA	Inactive			0		-4.8518	2.1211	0.4048
Inactive			0		-8.5396	0.9	0.438	2.5	-17.25	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	0.4242			-11.5665	-3.6679	-0.6129	-7.1783	4.7883	0.4184	-0.1577	10.7035	11.6402	-3.9345	-0.5512	-6.2453	0.4242	QC'd by SIGMA	Inactive			0		-7.9396	4.9549	0.4551
Inactive			0					0	0	4		-5.3318			-1.9441	0.4522	-8.332	1.0107	-0.1156	-10.7826	-10.8532	-4.2471	0.2028	7.2076	-6.6671	-8.3789	-5.3318	QC'd by SIGMA	Inactive			0
Inactive			0					0	0	4		0.6118			-3.3835	-2.5203	-9.6183	-0.5168	-7.3565	-1.9351	-3.5914	4.7435	-5.2628	-2.1247	-4.3417	-14.5368	0.6118	QC'd by SIGMA	Inactive			0
Inactive			0					0	0	4		-5.3821		-1.5125	-3.5484	-1.106	-5.2777	-3.6383	-5.511	-10.9006	-6.9604	-1.9223	0.6192	-4.5677	-4.7296	-8.0223		QC'd by SIGMA	Inactive			0		-8.268	0.3	0.4015
Inactive			0					0	0	4		0.8732			0.4702	-0.8794	-0.634	0.6861	-1.0413	3.7723	-12.8167	-6.0565	2.7542	-1.535	-7.9041	-5.4978	0.8732	QC'd by SIGMA	Inactive			0
Inactive			0		-6.8396	4.9549	0.5512	4	-4.4703	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	1.0676			-1.3224	-9.1419	-1.1865	-3.6159	-5.2485	-8.1953	10.1917	5.7995	1.0908	1.4998	3.9671	2.0297	1.0676	QC'd by SIGMA	Inactive			0		-6.7896	4.9549	0.3599
Inactive			0					0	0	4		-1.022			0.21	0.2513	-2.3747	1.3717	-0.5038	3.9894	-1.7888	-6.7987	2.5369	1.0166	4.1994	5.5844	-1.022	QC'd by SIGMA	Inactive			0		-6.3896	4.9549	0.3471
Inactive			0					0	0	4		-1.4059			-3.132	-7.6607	0.7238	-4.3332	0.324	11.3302	0.2479	7.5234	-14.4771	-13.0144	6.3636	1.2275	-1.4059	QC'd by Roche	Inactive			0
Inactive			0		-4.3396	4.9549	0.3429	-10.8862	0.5	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-9.0718			3.4287	-0.5118	-4.4669	-2.302	-2.1771	3.3078	2.8439	-1.0124	4.2267	-6.2135	3.9872	-0.6916	-9.0718	QC'd by TCI	Inactive			0
Inactive			0					0	0	4		-0.6831			0.0297	-0.9593	-0.7386	-2.2052	-1.3291	-4.3626	-5.6209	1.9907	0	11.3034	0.7086	-3.1047	-0.6831	QC'd by SIGMA	Inactive			0		-5.4896	4.9549	0.3751
Inactive			0		-5.9396	1.7885	0.3582	0	-3.2296	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	0.3463			-2.7679	-2.538	-3.6541	-2.975	-8.108	0.403	-4.8358	-1.7099	-1.4551	2.2456	-0.5792	-0.496	0.3463	QC'd by SIGMA	Inactive			0
Inactive			0					0	0	4		-11.9551			1.4361	-7.8259	-8.6263	-1.5217	1.5909	-12.8729	-11.017	-6.8916	-3.5531	-4.5898	-4.7446	-6.1302	-11.9551	QC'd by LightBiologicals	Inactive			0
Inactive			0					0	0	4		-9.9242			-1.6531	-3.7001	1.0424	-7.989	3.6152	-5.8328	-1.3701	-2.0464	-3.8438	-5.7091	-2.1285	-5.1644	-9.9242	QC'd by SIGMA	Inactive			0		-4.3396	3.6772	0.3682
Cytotoxic	40.779	72.4418	40	Partial curve; high efficacy	-4.3896	3.9295	0.8982	-74.5596	-2.1178	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-64.8179			-2.6064	4.2761	-5.9881	-1.3877	-6.5057	-2.5926	6.3601	-8.7022	1.2883	-0.5997	-1.9403	-18.4593	-64.8179	QC'd by TCI	Cytotoxic	51.3377	34.4928	20	Single point of activity	-4.2896	4.9549	0.8014
Inactive			0					0	0	4		-14.5026			-3.174	3.642	-4.3769	-9.3023	-7.6508	-8.2832	-19.8532	-7.8617	11.7122	-6.9451	-14.9464	3.8797	-14.5026	QC'd by SIGMA	Inactive			0
Inactive			0					0	0	4		-2.2222			-0.9842	1.4931	-1.4117	1.1017	-10.6336	-4.34	-12.0027	-8.0387	-2.805	-8.8725	12.3039	-3.6772	-2.2222	QC'd by SIGMA	Inactive			0
Inactive			0		-7.3396	4.9549	0.5282	4.5	-2.7718	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	1.0674			-3.5855	-4.214	1.2009	-4.3932	0.91	3.4222	14.038	2.7253	5.2696	2.2188	6.3127	1.4121	1.0674	QC'd by Roche	Inactive			0		-4.7396	4.095	0.6096

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium breve

External ID: CHEMBL912633

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL5209644
ChEMBL Target Name: Bifidobacterium breve
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	15.6	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	250	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：824 靶标：tumor suppressor p53 [Homo sapiens]

External ID: P53MS898

Protocol: Tox21 Assay Protocol Summary:

The p53RE-bla cells were dispensed at 4,000cells/3ul/well in 1536-well black-clear bottom plates. After the assay plates were incubated at 37 C, 5% CO2 incubator for 5 hours, 23 nL of compounds dissolved in DMSO, positive controls or DMSO only was transferred to the assay plate. Following compound addition, 3 uL of rat liver microsomes (Molecular Toxicology, Boone, NC) at final concentration of 0.5 mg/mL and 1uL of Beta-Nicotinamide adenine dinucleotide 2-phosphate (NADPH) at final concentration of 0.5 mg/mL were transferred to the assay plate. The plates were incubated at 37 C for 16 hours. 1 uL of LiveBLAzer detection mixture was added to each well and the plates were incubated at room temperature in the dark for 2 h. Fluorescence intensity at 460 and 530 nm emission and 405 nm excitation were measured by an Envision plate reader.

Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (https://www.epa.gov/comptox-tools/comptox-chemicals-dashboard) and NTP (https://cebs.niehs.nih.gov/cebs/).

Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent activators are ranked higher than compounds that showed apparent inhibition.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype-Replicate_1	Potency-Replicate_1	Efficacy-Replicate_1	W530-Activity_Score-Replicate_1	W530-Curve_Description-Replicate_1	W530-Fit_LogAC50-Replicate_1	W530-Fit_HillSlope-Replicate_1	W530-Fit_R2-Replicate_1	W530-Fit_InfiniteActivity-Replicate_1	W530-Fit_ZeroActivity-Replicate_1	W530-Fit_CurveClass-Replicate_1	W530-Excluded_Points-Replicate_1	W530-Max_Response-Replicate_1	W530-Activity at 0.0004427766 uM-Replicate_1	W530-Activity at 0.00122 uM-Replicate_1	W530-Activity at 0.00372 uM-Replicate_1	W530-Activity at 0.00957 uM-Replicate_1	W530-Activity at 0.022 uM-Replicate_1	W530-Activity at 0.049 uM-Replicate_1	W530-Activity at 0.109 uM-Replicate_1	W530-Activity at 0.249 uM-Replicate_1	W530-Activity at 0.768 uM-Replicate_1	W530-Activity at 2.332 uM-Replicate_1	W530-Activity at 5.987 uM-Replicate_1	W530-Activity at 13.55 uM-Replicate_1	W530-Activity at 30.33 uM-Replicate_1	W530-Activity at 65.98 uM-Replicate_1	W530-Activity at 172.8 uM-Replicate_1	Ratio-Activity_Score-Replicate_1	Ratio-Fit_LogAC50-Replicate_1	Ratio-Fit_HillSlope-Replicate_1	Ratio-Fit_R2-Replicate_1	Ratio-Fit_InfiniteActivity-Replicate_1	Ratio-Fit_ZeroActivity-Replicate_1	Ratio-Fit_CurveClass-Replicate_1	Ratio-Excluded_Points-Replicate_1	Ratio-Max_Response-Replicate_1
Inactive			10					0	0	4		-0.0766	-0.0658	-2.1529	3.9062	-0.3999	-1.3738	5.6396	1.2637	-2.8564	1.7604	1.5516	7.3112	-1.1534	-0.0766			10				0	0	4.0000		-0.5396
Inactive			10					0	0	4		-9.2657	4.0277	-6.0118	-0.0071	-1.811	2.0788	-0.1063	-9.8118	3.0223	1.6158	-3.4131	-0.3905	-0.1348	-9.2657			10				0	0	4.0000		-0.7395
Inconclusive	17.7526	36.1501	10	Partial curve; partial efficacy	-4.7507	2.4064	0.951	37.5	1.3499	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	30.754	-1.375	1.5918	1.7634	2.1888	1.4238	-0.7252	2.5675	1.8164	2.8834	2.2828	3.1112	16.0013	30.754			10	-4.7007	2.4064	0.9040	-16.0184	-1.0000	4.0000	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-12.5153
Inactive			10					0	0	4		-0.8668	-1.4854	3.1589	-1.5267	-0.3498	-0.9828	-1.6965	-4.3054	0.3446	1.0195	-3.8892	-0.0431	-3.4971	-0.8668			10				0	0	4.0000		2.1550
Inactive			10					0	0	4		0.4687		-0.3692	-2.2383	-2.0699	-1.1088	-1.1038	-1.892	-3.7217	-0.3761	-2.9675	-7.199	-1.2598	0.549	0.4687		10				0	0	4.0000		-4.3810
Inactive			10					0	0	4		0.4126		-1.2865	-0.5387	-2.298	-1.8546	-1.5264	-1.5856	-1.7954	-2.1107	-10.0252	-3.0851	-2.8249	-1.3843	0.4126		10				0	0	4.0000		0.0966
Inactive			10		-8.7529	1.5386	0.542	-3.9015	10	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	0.1082		6.8455	-0.6219	-1.9403	-3.2657	-2.4784	-1.636	-6.3641	-2.7947	-6.0758	-3.8759	-3.1216	-2.6375	0.1082		10				0	0	4.0000		-1.7240
Inactive			10					0	0	4		-2.6484		1.2797	-2.7761	-6.4353	-4.779	-1.4021	-0.3446	-1.6237	-1.1309	-5.3966	-0.9014	0	-0.5502	-2.6484		10				0	0	4.0000		4.8834
Inactive			10					0	0	4		-0.1792			-0.474	-1.4694	-0.8953	-0.4709	-0.7415	0.1743	-4.2804	-1.4515	-8.5725	-1.4096	6.8573	-0.4899	-0.1792	10				0	0	4.0000		0.3507
Inactive			10		-5.231	4.9549	0.6378	2.5	-6.3093	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	3.5172		-6.7601	-8.0367	-0.7524	-8.9539	-6.7515	-6.0875	-9.8411	-8.2478	-4.204	-0.2062	1.7434	1.0449	3.5172		10				0	0	4.0000		7.8280
Inactive			10		-5.2546	4.9549	0.7388	8	-2.5362	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	11.2916		-1.1337	-0.9738	-3.7502	-3.5438	-3.9281	2.0571	-0.3539	-3.0856	-2.4518	1.1027	5.5462	4.507	11.2916		10				0	0	4.0000		0.2257
Inactive			10		-4.7191	0.8	0.3767	-22.1814	-2	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-7.9565		-2.4609	-4.7653	-0.7909	-4.3968	-2.1758	-2.0522	-3.5012	-2.3448	-13.9474	2.318	-16.8178	-12.5058	-7.9565		10				0	0	4.0000		-0.5576
Inactive			10		-5.3859	4.9549	0.6093	13	-3.1121	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-0.9382		-2.1013	-5.1202	-0.9168	-6.4291	-0.2473	-7.5114	-1.615	0.7413	-1.6005	15.749	21.4275	0.7564	-0.9382		10				0	0	4.0000		3.5229
Inactive			10					0	0	4		-2.5193		-0.5943	-0.7208	-2.3194	-2.3118	2.0984	-4.0928	-2.1388	-3.1827	-4.0523	0.0794	-0.2907	-0.4065	-2.5193		10				0	0	4.0000		2.1690
Inactive			10		-4.9791	2.7202	0.5585	6	-4.0953	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	8.8855		-0.6587	-4.6588	-0.4651	-5.4882	-3.2508	-2.652	-4.0762	-6.6845	-6.0914	-4.6726	6.5432	0.2926	8.8855		10				0	0	4.0000		8.4566
Inactive			10					0	0	4		0.3919		-1.1926	0.0615	1.2782	-3.2151	-0.8299	-0.6638	-3.5934	-2.2676	-3.9649	12.1718	-12.289	-2.396	0.3919		10	-4.2864	3.1320	0.7667	11.5000	0.5558	4.0000	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	8.8922
Inactive			10					0	0	4		1.3115		-1.013	-0.5151	-0.4031	-1.1603	-0.0285	-0.1807	-1.9009	1.5472	-3.2052	8.574	-14.1104	-2.3698	1.3115		10				0	0	4.0000		0.7374
Inactive			10					0	0	4		1.2453		-0.1374	-0.3605	-3.4935	-1.2563	-2.4487	-0.2616	-0.7299	0.0304	-4.47	-0.7534	5.7775	-0.0973	1.2453		10				0	0	4.0000		1.2743
Inactive			10					0	0	4		0.0274		-0.9052	-3.7849	-3.6459	-0.6677	-0.0146	2.1795	-6.8978	-0.8919	-5.2845	-0.8362	-13.1521	0.142	0.0274		10				0	0	4.0000		-2.5213
Inactive			10					0	0	4		-2.4878		-3.5001	-2.6738	-5.3379	-5.5521	-3.8874	0.4423	-5.0105	-3.9092	-8.9672	-0.5005	-7.892	-0.4544	-2.4878		10				0	0	4.0000		0.0360

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bifidobacterium longum

External ID: CHEMBL912634

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 169
Last Page: 174
DOI: 10.1128/aac.00261-06

Target ChEMBL ID: CHEMBL613911
ChEMBL Target Name: Bifidobacterium longum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	1.9	ug.mL-1
MIC	>	500	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	0.98	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	7.8	ug.mL-1
MIC	=	500	ug.mL-1
MIC	=	250	ug.mL-1
MIC	=	62.5	ug.mL-1

64-75-5 靶点实验数据