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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL4316044

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 185
First Page: 111824
Last Page: 111824
DOI: 10.1016/j.ejmech.2019.111824

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Ratio TD50/ED50	<	0.22
Ratio TD50/ED50	=	5.2
Ratio TD50/ED50	<	0.76
Ratio TD50/ED50	=	2.9

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4316043

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 185
First Page: 111824
Last Page: 111824
DOI: 10.1016/j.ejmech.2019.111824

Standard Type	Standard Relation	Standard Value	Standard Units
TD50	=	65.5	mg kg-1
TD50	=	69	mg kg-1
TD50	=	71.6	mg kg-1
TD50	=	426	mg kg-1

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL4316042

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 185
First Page: 111824
Last Page: 111824
DOI: 10.1016/j.ejmech.2019.111824

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
ED50	>	300	mg.kg-1
ED50	=	13.2	mg.kg-1
ED50	>	100	mg.kg-1
ED50	=	149	mg.kg-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：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：N/A

External ID: CHEMBL646646

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 6
First Page: 923
Last Page: 930
DOI: 10.1021/jm001020e

Standard Type	Standard Relation	Standard Value
LogD	=	1.8
LogD	=	-0.8
LogD	=	0.3
LogD	=	2.2
LogD	=	0.9
LogD	=	-0.7
LogD	=	-2.5
LogD	=	-1.6
LogD	=	0.8
LogD	=	0.1
LogD	=	0.5
LogD	=	-0.2
LogD	=	-0.7
LogD	=	3
LogD	=	2.9
LogD	=	0.7
LogD	=	-0.7
LogD	=	0.3
LogD	=	4.3
LogD	=	2.4

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL846881

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1993
Volume: 36
Issue: 23
First Page: 3517
Last Page: 3525
DOI: 10.1021/jm00075a005

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
ED50	=	9.5	mg.kg-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL847010

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1993
Volume: 36
Issue: 23
First Page: 3517
Last Page: 3525
DOI: 10.1021/jm00075a005

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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 Units	Activity Comment
ED50	mg.kg-1	Not Active

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

来源：ChEMBL 靶标：Cannabinoid receptor 1

External ID: CHEMBL663454

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1999
Volume: 9
Issue: 15
First Page: 2233
Last Page: 2236
DOI: 10.1016/s0960-894x(99)00353-4

Target ChEMBL ID: CHEMBL218
ChEMBL Target Name: Cannabinoid CB1 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Activity Comment
Displacement	Not Active
Displacement	Not Active
Displacement	Not Active
Displacement	Not Active
Displacement	Not Active

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL2405893

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 65
First Page: 276
Last Page: 283
DOI: 10.1016/j.ejmech.2013.04.054

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Activity	=	0	%

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL3062359

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2012
Volume: 21
Issue: 9
First Page: 2208
Last Page: 2216
DOI: 10.1007/s00044-011-9743-9

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL2405892

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 65
First Page: 276
Last Page: 283
DOI: 10.1016/j.ejmech.2013.04.054

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Activity	=	0	%

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL2405891

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 65
First Page: 276
Last Page: 283
DOI: 10.1016/j.ejmech.2013.04.054

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Activity	=	0	%

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL3062361

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2012
Volume: 21
Issue: 9
First Page: 2208
Last Page: 2216
DOI: 10.1007/s00044-011-9743-9

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL1913974

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
ED50	>	50	mg.kg-1
ED50	=	13.2	mg.kg-1
ED50	=	136	mg.kg-1
ED50	>	25	mg.kg-1

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL1913973

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
ED50	=	5.64	mg.kg-1
ED50	=	21.8	mg.kg-1
ED50	>	500	mg.kg-1
ED50	=	4.46	mg.kg-1

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL3062363

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2012
Volume: 21
Issue: 9
First Page: 2208
Last Page: 2216
DOI: 10.1007/s00044-011-9743-9

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL1913976

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Ratio TD50/ED50	=	7.3
Ratio TD50/ED50	=	3.2
Ratio TD50/ED50	=	6

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL2405896

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 65
First Page: 276
Last Page: 283
DOI: 10.1016/j.ejmech.2013.04.054

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Ratio	=	1.98

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL1913975

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
TD50	=	41	mg kg-1
TD50	=	69	mg kg-1
TD50	=	341	mg kg-1
TD50	=	26.8	mg kg-1
TD50	>	500	mg kg-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL2405895

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 65
First Page: 276
Last Page: 283
DOI: 10.1016/j.ejmech.2013.04.054

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Activity	=	75.88	%

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL3062365

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2012
Volume: 21
Issue: 9
First Page: 2208
Last Page: 2216
DOI: 10.1007/s00044-011-9743-9

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL2405894

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 65
First Page: 276
Last Page: 283
DOI: 10.1016/j.ejmech.2013.04.054

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Activity	=	0	%

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL1913977

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
TIME	=	1	hr
TIME	=	1	hr
TIME	=	0.5	hr

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL3062367

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2012
Volume: 21
Issue: 9
First Page: 2208
Last Page: 2216
DOI: 10.1007/s00044-011-9743-9

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL1914050

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
ED50	=	28.1	mg.kg-1
ED50	=	9.14	mg.kg-1
ED50	>	500	mg.kg-1
ED50	=	3.9	mg.kg-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL1914052

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
TD50	>	1000	mg kg-1
TD50	=	61.1	mg kg-1
TD50	>	500	mg kg-1
TD50	>	500	mg kg-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL1914051

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
ED50	>	500	mg.kg-1
ED50	=	11.6	mg.kg-1
ED50	=	167	mg.kg-1
ED50	>	250	mg.kg-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL1914054

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
TIME	=	4	hr
TIME	=	5	hr
TIME	=	0.5	hr

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL1914053

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2011
Volume: 46
Issue: 10
First Page: 4859
Last Page: 4869
DOI: 10.1016/j.ejmech.2011.07.027

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Ratio TD50/ED50	>	36.6
Ratio TD50/ED50	=	6.7
Ratio TD50/ED50	>	128

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL741066

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 3
First Page: 926
Last Page: 931
DOI: 10.1021/jm00165a007

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
TPE	=	2
TPE	=	1

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL877191

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 3
First Page: 926
Last Page: 931
DOI: 10.1021/jm00165a007

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
TPE	=	2
TPE	=	1
TPE	=	0.5

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL778672

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 7
First Page: 1311
Last Page: 1319
DOI: 10.1021/jm990068t

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Activity in animals	=	100	%
Activity in animals	=	25	%
Activity in animals	=	50	%
Activity in animals	=	100	%

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL778673

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 7
First Page: 1311
Last Page: 1319
DOI: 10.1021/jm990068t

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Activity in animals	=	100	%
Activity in animals	=	50	%
Activity in animals	=	50	%
Activity in animals	=	100	%

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL882212

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 7
First Page: 1311
Last Page: 1319
DOI: 10.1021/jm990068t

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Activity in animals	=	100	%
Activity in animals	=	50	%
Activity in animals	=	25	%
Activity in animals	=	75	%

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL777987

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 7
First Page: 1311
Last Page: 1319
DOI: 10.1021/jm990068t

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Activity in animals	=	25	%
Activity in animals	=	50	%
Activity in animals	=	-1	%
Activity in animals	=	25	%
Activity in animals	=	100	%
Activity in animals	=	100	%

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL779342

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1997
Volume: 40
Issue: 11
First Page: 1578
Last Page: 1584
DOI: 10.1021/jm9606655

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
ED50	=	23.2	mg.kg-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL791959

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1993
Volume: 3
Issue: 4
First Page: 547
Last Page: 552
DOI: 10.1016/S0960-894X(01)81225-7

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Protection	=	75	%

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

来源：ChEMBL 靶标：Sodium channel protein type 2 subunit alpha

External ID: CHEMBL3073853

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2013
Volume: 22
Issue: 7
First Page: 3177
Last Page: 3184
DOI: 10.1007/s00044-012-0256-y

Target ChEMBL ID: CHEMBL4187
ChEMBL Target Name: Sodium channel protein type II alpha subunit
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
337.8	Ki	=	337800	nM	Outside typical range
133.56	Ki	=	133560	nM	Outside typical range
16.01	Ki	=	16010	nM
21.8	Ki	=	21800	nM
61.07	Ki	=	61070	nM
20.3	Ki	=	20300	nM
78.42	Ki	=	78420	nM

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL3073855

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2013
Volume: 22
Issue: 7
First Page: 3177
Last Page: 3184
DOI: 10.1007/s00044-012-0256-y

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Activity	=	115	mg kg-1
Activity	=	61.6	mg kg-1
Activity	=	79.94	mg kg-1
Activity	=	58.08	mg kg-1
Activity	=	65.66	mg kg-1
Activity	=	60.56	mg kg-1
Activity	=	96.84	mg kg-1
Activity	=	64.97	mg kg-1
Activity	=	86.37	mg kg-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL791960

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1993
Volume: 3
Issue: 4
First Page: 547
Last Page: 552
DOI: 10.1016/S0960-894X(01)81225-7

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Protection	=	37.5	%

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL3073854

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2013
Volume: 22
Issue: 7
First Page: 3177
Last Page: 3184
DOI: 10.1007/s00044-012-0256-y

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Not Active

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL3073856

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2013
Volume: 22
Issue: 7
First Page: 3177
Last Page: 3184
DOI: 10.1007/s00044-012-0256-y

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
Activity	=	49.2	mg kg-1
Activity	=	41.12	mg kg-1
Activity	=	46.65	mg kg-1
Activity	=	42.95	mg kg-1
Activity	=	46.34	mg kg-1
Activity	=	33.4	mg kg-1
Activity	=	64.89	mg kg-1
Activity	=	52.1	mg kg-1
Activity	=	40.37	mg kg-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: ERR513

Protocol: Tox21 Assay Protocol Summary:

The ERR cells were dispensed at 2,000 cells/5 ul/well in 1536-well white plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 6 hours, 23 nL of compounds dissolved in DMSO, positive and negative controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 17.5 hours. 1 ul/well of CellTiter-Fluor reagent was added into the assay plates using a Flying Reagent Dispenser. After 30 min incubation at 37 C/5% CO2, the fluorescence 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 (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 0.00118 uM-Replicate_1	Activity at 0.00590 uM-Replicate_1	Activity at 0.029 uM-Replicate_1	Activity at 0.148 uM-Replicate_1	Activity at 0.737 uM-Replicate_1	Activity at 3.687 uM-Replicate_1	Activity at 18.43 uM-Replicate_1	Activity at 92.17 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	Fit_InfiniteActivity-Replicate_2	Fit_ZeroActivity-Replicate_2	Fit_CurveClass-Replicate_2	Excluded_Points-Replicate_2	Max_Response-Replicate_2	Activity at 0.00118 uM-Replicate_2	Activity at 0.00590 uM-Replicate_2
Inactive			0		-8.6137	2.0937	0.721	0	-9.3472	4	0 0 0 0 0 0 0 0	-1.1981	-7.7893	-1.3061	-0.9136	2.7218	-2.4449	2.3491	0.5984	-1.1981	QC'd by Enamine	Inactive			0					0	0	4		-2.1799	-5.7621	-6.6695
Inactive			0		-5.7637	4.9549	0.7632	-7.8669	0	4	0 0 0 0 0 0 0 0	-9.7072	0.1194	0.8287	-2.1801	-1.2549	3.4297	-9.8891	-4.5089	-9.7072	QC'd by Enamine	Inactive			0		-4.2137	3.2475	0.7579	-22.3272	-2	4	0 0 0 0 0 0 0 0	-18.1894	-7.6164	-4.6343
Cytotoxic	48.5577	32.5806	20	Single point of activity	-4.3137	3.2975	0.9389	-34.0806	-1.5	-3	0 0 0 0 0 0 0 0	-30.4839	2.0077	1.2353	-4.12	-5.6743	-2.5921	-0.0827	-2.7826	-30.4839	QC'd by Enamine	Inactive			0		-4.4637	2.9023	0.9774	-26.7175	-0.5	4	0 0 0 0 0 0 0 0	-25.1812	-1.3717	1.1119
Inactive			0					0	0	4		-4.0244	-1.5815	0.5532	1.8696	0.2877	-1.0948	-0.9718	1.3168	-4.0244	QC'd by Enamine	Inactive			0					0	0	4		2.6212	-1.3633	1.1082
Inactive			0		-4.3137	1	0.6075	-12.9835	-1.5	4	0 0 0 0 0 0 0 0	-9.1529	-6.2602	0.8875	-0.2672	-1.0757	-1.1078	-3.3998	-4.2513	-9.1529	QC'd by SIGMA	Inactive			0		-4.1637	4.4495	0.8449	-13.8135	-1	4	0 0 0 0 0 0 0 0	-11.0946	-2.2814	-1.8218
Inactive			0					0	0	4		-2.2635	-3.2218	-1.5002	-3.2094	-6.5467	-6.9838	-9.2586	-2.3579	-2.2635	QC'd by SIGMA	Inactive			0					0	0	4		-2.1934	-6.1949	-2.9926
Inactive			0					0	0	4		-3.6053	-10.98	-3.1918	-5.1884	-6.2628	-0.9809	-3.7687	-3.2149	-3.6053	QC'd by SIGMA	Inactive			0					0	0	4		-2.2311	-5.312	1.6461
Cytotoxic	48.5577	49.8834	20	Single point of activity	-4.3137	3.2975	0.9731	-52.7952	-2.9118	-3	0 0 0 0 0 0 0 0	-47.5721	-5.7276	-1.7088	0.0712	1.5459	-4.3172	-5.7565	-4.7314	-47.5721	QC'd by SIGMA	Cytotoxic	68.5896	55.547	20	Single point of activity	-4.1637	3.99	0.9932	-57.6622	-2.1152	-3	0 0 0 0 0 0 0 0	-44.4411	-3.0449	-2.577
Inactive			0		-6.3637	0.2	0.6099	8	-9.6563	4	0 0 0 0 0 0 0 0	5.2888	-8.0469	-2.1533	0.5824	-6.716	0.5639	0.8956	1.5985	5.2888	QC'd by SIGMA	Inactive			0		-5.2637	1.2221	0.9111	-12.426	2	4	0 0 0 0 0 0 0 1	5.0335	-0.899	2.8828
Inactive			0		-4.1637	4.4495	0.8402	-12.6467	0	4	0 0 0 0 0 0 0 0	-10.1223	-1.3467	1.9663	-1.5401	2.2503	-0.6504	-1.3957	1.3844	-10.1223	QC'd by SIGMA	Inactive			0					0	0	4		-5.9601	-4.8718	-1.2894
Inactive			0		-7.0637	4.9549	0.7513	-8.9661	2.5	4	0 0 0 0 0 0 0 0	-15.3884	0.706	2.9045	3.3353	-8.2144	-8.9894	-9.0163	-3.1514	-15.3884	QC'd by SIGMA	Inactive			0		-4.3637	3.6272	0.923	-19.7708	0.5	4	0 0 0 0 0 0 0 0	-18.559	2.3106	-3.7006
Cytotoxic	43.2771	75.6324	20	Single point of activity	-4.3637	3.2975	0.9904	-76.4078	-0.7754	-3	0 0 0 0 0 0 0 0	-70.3847	1.9902	2.3693	-0.9536	-1.7116	-0.7698	-5.276	-6.3803	-70.3847	QC'd by SIGMA	Cytotoxic	48.5577	82.7194	20	Single point of activity	-4.3137	3.2975	0.9843	-85.6388	-2.9194	-3	0 0 0 0 0 0 0 0	-76.6203	-7.7845	-4.8132
Inactive			0		-4.4137	0.7	0.7291	-12.603	1	4	0 0 0 0 0 0 0 0	-8.8358	0.5447	-0.2742	2.4902	0.8744	1.9273	-4.8205	-1.4703	-8.8358	QC'd by SIGMA	Inactive			0					0	0	4		-3.8112	-0.6122	-0.8775
Inactive			0					0	0	4		-4.7292	-2.4847	-4.1876	-6.4867	1.0395	-0.7162	0.0299	-0.793	-4.7292	QC'd by SIGMA	Inactive			0					0	0	4		2.6314	0.3943	-1.3136
Inactive			0		-5.8137	1.6436	0.8047	0.5	-6.4974	4	0 0 0 0 0 0 0 0	-0.4266	-9.1645	-5.8022	-3.6937	-7.1147	-4.6312	-0.9477	1.1703	-0.4266	QC'd by SIGMA	Inactive			0		-4.3137	4.5045	0.8295	13.5	-1.9653	4	0 0 0 0 0 0 0 0	12.7252	-3.6822	1.1451
Cytotoxic	24.3365	49.0952	40	Partial curve; partial efficacy	-4.6137	4.5045	0.9503	-50.0798	-0.9846	-2.2	0 0 0 0 0 0 0 0	-50.0782	-0.027	2.3579	-4.7322	-0.1367	4.7681	-8.001	-12.0828	-50.0782	QC'd by SIGMA	Cytotoxic	34.3762	51.395	20	Partial curve; partial efficacy	-4.4637	1.6604	0.9408	-52.4652	-1.0701	-2.2	0 0 0 0 0 0 0 0	-46.0221	0.2528	0.4999
Inactive			0		-5.8637	4.9549	0.5635	-7.1429	-1	4	0 0 0 0 0 0 0 1	1.7155	-3.0936	-3.8627	1.0831	0.1892	-0.7274	-10.5357	-4.0515	1.7155	QC'd by LightBiologicals	Inactive			0					0	0	4		1.3344	-8.4864	-3.5514
Inactive			0		-8.0137	4.9549	0.8219	-1.5	-15.3837	4	0 0 0 0 0 0 0 0	-0.1642	-15.3198	-14.4981	0.2013	-6.924	2.4229	-4.1823	0	-0.1642	QC'd by SIGMA	Inactive			0		-5.0137	4.9549	0.4131	5	-2.5442	4	0 0 0 0 0 0 0 0	3.8807	0.3165	2.8847
Inactive			0		-7.9637	4.9549	0.6746	-2.3322	7	4	0 0 0 0 0 0 0 1	7.5781	5.9636	7.5271	-8.1935	-0.71	0.9919	-1.6782	-0.8604	7.5781	QC'd by SIGMA	Inactive			0		-6.1137	2.7202	0.8487	6	-3.0675	4	0 0 0 0 0 0 0 0	6.1795	-3.1652	-6.3062
Cytotoxic	43.2771	30.719	20	Partial curve; partial efficacy; poor fit	-4.3637	1.4641	0.9032	-33.219	-2.5	-2.4	0 0 0 0 0 0 0 0	-27.6825	-1.9081	-4.6287	-2.873	-0.3761	0.9727	-8.0988	-6.6948	-27.6825	QC'd by SIGMA	Inactive			0		-4.7637	1.8851	0.9867	-25.4518	-0.5	4	0 0 0 0 0 0 0 0	-24.5432	-1.778	0.5931

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: ERR845

Protocol: Tox21 Assay Protocol Summary:

The ERR cells were dispensed at 2,000 cells/5 ul/well in 1536-well white plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 6 hours, 23 nL of compounds dissolved in DMSO, positive and negative controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 18 hours. 4 ul/well of One-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 (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 0.00118 uM-Replicate_1	Activity at 0.00590 uM-Replicate_1	Activity at 0.029 uM-Replicate_1	Activity at 0.148 uM-Replicate_1	Activity at 0.737 uM-Replicate_1	Activity at 3.687 uM-Replicate_1	Activity at 18.43 uM-Replicate_1	Activity at 92.17 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	Fit_InfiniteActivity-Replicate_2	Fit_ZeroActivity-Replicate_2	Fit_CurveClass-Replicate_2	Excluded_Points-Replicate_2	Max_Response-Replicate_2	Activity at 0.00118 uM-Replicate_2	Activity at 0.00590 uM-Replicate_2
Inactive			0		-6.7137	3.99	0.7448	3.5	-3.0979	4	0 0 0 0 0 0 0 1	-4.5301	0.5359	-3.9754	-6.3316	-1.534	3.7028	3.0225	3.9166	-4.5301	QC'd by Enamine	Inactive			0		-4.3637	4.5045	0.8609	20.5	-2.0014	4	0 0 0 0 0 0 0 0	19.7998	1.4656	-7.5012
Inhibitor	38.5708	35.1806	10	Partial curve; partial efficacy; poor fit	-4.4137	0.3	0.5495	-40.7918	-5.6112	-2.4	0 0 0 0 0 0 0 0	-30.6598	-14.2189	-5.7598	-1.3427	-19.1905	-11.1974	-18.7235	-15.3163	-30.6598	QC'd by Enamine	Inactive			0		-8.7637	4.9549	0.5011	-5.7381	2	4	0 0 0 0 0 0 0 0	-4.7769	0.9052	-7.1733
Inhibitor	43.2771	77.032	10	Single point of activity	-4.3637	3.2975	0.9971	-78.3429	-1.3109	-3	0 0 0 0 0 0 0 0	-72.2295	-0.848	-0.118	-4.2082	-0.6518	-1.8942	-0.08	-5.3518	-72.2295	QC'd by Enamine	Inhibitor	43.2771	63.6484	10	Single point of activity	-4.3637	2.9523	0.9946	-65.7144	-2.0659	-3	0 0 0 0 0 0 0 0	-59.6321	-2.3181	1.0274
Inactive			0		-4.6137	4.095	0.7785	-11.2649	0	4	0 0 0 0 0 0 0 0	-11.0541	2.3776	0.4094	0.2158	-4.5829	0.0109	1.9949	-2.9254	-11.0541	QC'd by Enamine	Inactive			0		-4.4137	3.9295	0.7033	-11.88	-1	4	0 0 0 0 0 0 0 0	-11.5667	0.631	2.2683
Inhibitor	13.6854	30.7075	21	Partial curve; partial efficacy	-4.8637	1.331	0.9362	-34.9705	-4.2631	-2.2	0 0 0 0 0 0 0 0	-32.0588	-3.9769	-3.3008	-9.2624	-0.6359	-6.9717	-5.8106	-24.2995	-32.0588	QC'd by SIGMA	Inhibitor	19.3312	44.7107	20	Partial curve; partial efficacy	-4.7137	4.9549	0.9424	-44.0673	0.6434	-2.2	0 0 0 0 0 0 0 0	-43.9187	3.3929	-7.8909
Inactive			0		-4.6137	0.5	0.8628	1.139	-21.2073	4	0 0 0 0 0 0 0 0	-4.0509	-23.9228	-19.6932	-21.9663	-17.0189	-16.3805	-16.3485	-13.4943	-4.0509	QC'd by SIGMA	Inactive			0		-4.5637	0.6	0.8623	2.9723	-21.7435	4	0 0 0 0 0 0 0 0	-2.5231	-21.0888	-19.8358
Inactive			0		-4.6637	4.095	0.7922	-16.0186	7	4	0 0 0 0 0 0 0 0	-15.4322	2.4951	11.0046	8.4138	12.5339	-0.0246	8.6463	-1.6168	-15.4322	QC'd by SIGMA	Inactive			0		-4.1637	4.9549	0.6395	-12.122	5	4	0 0 0 0 0 0 0 0	-8.8517	10.9119	2.0118
Inhibitor	43.2771	76.0133	10	Single point of activity	-4.3637	3.2975	0.9556	-72.6246	3.3888	-3	0 0 0 0 0 0 0 0	-67.0017	0.4321	2.2729	4.1028	15.2231	-2.7033	0.1771	-0.4468	-67.0017	QC'd by SIGMA	Inhibitor	68.5896	78.0615	10	Single point of activity	-4.1637	4.9549	0.8832	-73.1865	4.8751	-3	0 0 0 0 0 0 0 0	-58.3846	-2.614	-4.3734
Activator	1.2197	32.6844	0	Complete curve; partial efficacy; poor fit	-5.9137	0.8	0.9481	30.5	-2.1844	1.4	0 0 0 0 0 0 0 0	29.0103	-1.6483	1.5958	-4.3203	1.8363	14.8352	16.6478	29.694	29.0103	QC'd by SIGMA	Activator	48.5577	44.594	0	Single point of activity	-4.3137	1	0.5389	47.7877	3.1937	3	0 0 0 0 0 0 0 0	38.0272	14.705	1.0969
Inactive			0		-4.6137	4.095	0.9713	-21.2654	-1.5	4	0 0 0 0 0 0 0 0	-21.0545	-2.7301	-0.4134	1.0029	-2.2409	-1.0812	-2.1276	-6.3156	-21.0545	QC'd by SIGMA	Inactive			0		-4.4137	3.99	0.8429	-24.4822	1.5	4	0 0 0 0 0 0 0 0	-23.7352	-0.6662	-2.5056
Activator	17.2289	133.5992	0	Partial curve; high efficacy	-4.7637	1.5579	0.9975	127.2961	-6.3031	2.1	0 0 0 0 0 0 0 0	117.8667	-8.9515	-6.7202	-3.1268	-8.6465	-1.6802	3.8092	64.311	117.8667	QC'd by SIGMA	Activator	21.6899	164.6248	0	Partial curve; high efficacy	-4.6637	1.2475	0.9927	156.6074	-8.0174	2.1	0 0 0 0 0 0 0 0	133.1695	-7.9286	-14.0417
Inhibitor	68.5896	98.745	10	Single point of activity	-4.1637	4.9549	0.931	-122.9328	-24.1879	-3	0 0 0 0 0 0 0 0	-104.5347	-33.7189	-31.4897	-29.5277	-32.0771	-19.6494	-24.4139	-12.4858	-104.5347	QC'd by SIGMA	Inhibitor	68.5896	65.978	10	Single point of activity	-4.1637	4.4495	0.9656	-93.0438	-27.0659	-3	0 0 0 0 0 0 0 0	-79.0031	-29.1044	-30.014
Inactive			0		-4.1137	4.9549	0.6653	-23.4729	1.5	4	0 0 0 0 0 0 0 0	-16.2274	2.793	4.6828	-5.1704	-5.8825	3.4051	4.408	5.1222	-16.2274	QC'd by SIGMA	Inactive			0					0	0	4		-8.3878	-2.7507	-9.7834
Inactive			0		-6.9637	4.5045	0.5272	5	-3.7817	4	0 0 0 0 0 0 0 0	12.2006	-2.9898	-3.919	-4.8181	3.0282	9.0156	-2.1288	1.7833	12.2006	QC'd by SIGMA	Inactive			0		-4.6137	4.9549	0.81	10.5	-1.3396	4	0 0 0 0 0 0 0 0	10.6787	1.3266	-2.2209
Inactive			0		-4.8137	0.5	0.7902	22	-1.8797	4	0 0 0 0 0 0 0 0	16.0881	-1.9337	-0.9491	-0.2665	-4.0664	8.7026	1.967	10.793	16.0881	QC'd by SIGMA	Inactive			0		-4.8137	1.7885	0.5359	15.5	-0.4829	4	0 0 0 0 0 0 0 0	14.811	-5.4024	11.5478
Activator	5.4483	65.9096	0	Complete curve; high efficacy	-5.2637	3.5117	0.9928	65.1288	-0.7808	1.1	0 0 0 0 0 0 0 0	64.1278	3.4298	-0.9076	-4.3967	-2.5952	1.4367	10.9347	65.6986	64.1278	QC'd by SIGMA	Activator	8.6349	121.1169	0	Partial curve; high efficacy	-5.0637	1.1705	0.9968	115.9495	-5.1674	2.1	0 0 0 0 0 0 0 0	108.5669	-5.4351	-5.5745
Inactive			0		-5.7137	4.9549	0.595	-8.7497	0	4	0 0 0 0 0 0 0 1	5.4059	-2.6152	-3.8122	-2.0963	4.499	4.406	-9.7914	-7.1473	5.4059	QC'd by LightBiologicals	Inactive			0		-4.1137	4.9549	0.3408	-10.3215	0	4	0 0 0 0 0 0 0 0	-7.3513	-4.3507	2.8856
Inactive			0		-7.3137	1.2221	0.9525	-1.4634	-23.3512	4	0 0 0 0 0 0 0 1	-12.6292	-20.3271	-25.7094	-13.6954	-6.9291	-1.6842	-1.5865	-0.8028	-12.6292	QC'd by SIGMA	Inactive			0		-6.9637	2.4064	0.4996	-15.2703	0	4	0 0 0 0 0 0 0 0	-27.7252	1.4691	-2.4748
Activator	5.4483	83.6669	0	Complete curve; high efficacy; poor fit	-5.2637	1	0.9696	88.0301	4.3632	1.3	1 0 0 0 0 0 0 0	82.8726	36.4156	12.0788	1.2155	-2.9612	20.5714	36.4132	70.1398	82.8726	QC'd by SIGMA	Activator	5.4483	159.3997	0	Partial curve; high efficacy	-5.2637	0.5	0.9946	149.0275	-10.3722	2.1	0 0 0 0 0 0 0 0	117.16	-5.2091	-4.8857
Inhibitor	68.5896	52.7425	10	Single point of activity	-4.1637	4.9549	0.7907	-52.54	0.2025	-3	0 0 0 0 0 0 0 0	-42.826	-0.1565	10.1488	3.0709	-2.1032	-5.5467	-13.8781	9.2268	-42.826	QC'd by SIGMA	Inhibitor	68.5896	48.0428	10	Single point of activity	-4.1637	4.9549	0.7805	-49.2366	-1.1938	-3	0 0 0 0 0 0 0 0	-40.1164	1.4546	-2.3883

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL4025627

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 132
First Page: 108
Last Page: 134
DOI: 10.1016/j.ejmech.2017.03.025

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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
MED	=	30	mg kg-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: PGC981

Protocol: Tox21 Assay Protocol Summary:

The PGC/ERR cells were dispensed at 2,000 cells/5 ul/well in 1536-well white plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 6 hours, 23 nL of compounds dissolved in DMSO, positive and negative controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 17.5 hours. 1 ul/well of CellTiter-Fluor reagent was added into the assay plates using a Flying Reagent Dispenser. After 30 min incubation at 37 C/5% CO2, the fluorescence 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 (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 0.00118 uM-Replicate_1	Activity at 0.00590 uM-Replicate_1	Activity at 0.029 uM-Replicate_1	Activity at 0.148 uM-Replicate_1	Activity at 0.737 uM-Replicate_1	Activity at 3.687 uM-Replicate_1	Activity at 18.43 uM-Replicate_1	Activity at 92.17 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	Fit_InfiniteActivity-Replicate_2	Fit_ZeroActivity-Replicate_2	Fit_CurveClass-Replicate_2	Excluded_Points-Replicate_2	Max_Response-Replicate_2	Activity at 0.00118 uM-Replicate_2	Activity at 0.00590 uM-Replicate_2
Inactive			0		-4.8637	1.4781	0.78	5.5	-8.0607	4	0 0 0 0 0 0 0 0	4.915	-11.7172	-10.2261	-5.6747	-3.2162	-8.4895	-6.4294	0.1212	4.915	QC'd by Enamine	Inactive			0		-4.7137	4.9549	0.7149	6.5	-4.1075	4	0 0 0 0 0 0 0 0	6.3707	-4.6171	-5.2048
Inactive			0		-6.6637	4.9549	0.6015	-3.7977	2	4	0 0 0 0 0 0 0 0	-5.2849	0.791	0.9268	4.172	1.3686	-5.4818	1.3153	-6.0814	-5.2849	QC'd by Enamine	Inactive			0		-5.8137	4.9549	0.3563	-3.9449	2	4	0 0 0 0 0 0 0 0	-7.6502	4.1673	0.1723
Cytotoxic	0.7696	79.1269	86	Complete curve; high efficacy	-6.1137	2.4064	0.989	-80.2129	-1.086	-1.1	0 0 0 0 0 0 0 0	-74.1102	-5.396	-2.9033	-0.4466	2.7921	-36.8956	-82.6325	-83.0675	-74.1102	QC'd by Enamine	Cytotoxic	0.6859	77.8151	20	Complete curve; high efficacy; poor fit	-6.1637	2.4064	0.9961	-79.552	-1.7369	-1.3	1 0 0 0 0 0 0 0	-75.8034	-72.1781	-1.7358
Inactive			0					0	0	4		-3.6673	-6.0811	-7.2954	-2.9298	-5.4835	-6.4501	-0.8482	-0.7681	-3.6673	QC'd by Enamine	Inactive			0					0	0	4		1.9261	-2.3973	-1.7209
Inactive			0					0	0	4		3.1053	3.4072	-1.2031	2.5309	-0.5178	0.1374	2.5247	0.3316	3.1053	QC'd by SIGMA	Inactive			0					0	0	4		0.5895	0.0467	-1.1307
Inactive			0		-8.8137	4.9549	0.3082	-4.4311	7	4	0 0 0 0 0 0 0 0	-0.1287	4.6299	-9.5259	1.8857	1.5028	-8.8402	-7.8944	-7.173	-0.1287	QC'd by SIGMA	Inactive			0		-7.2137	4.9549	0.6151	-5.4211	3.5	4	0 0 0 0 0 0 0 1	3.2741	4.4889	1.0958
Inactive			0		-4.1137	4.9549	0.5878	-11.9248	-1	4	0 0 0 0 0 0 0 0	-8.6874	-2.6017	-2.1396	-4.8238	-0.7809	-0.2262	1.3256	2.5681	-8.6874	QC'd by SIGMA	Inactive			0					0	0	4		-3.035	0.9522	-1.0902
Cytotoxic	24.3365	46.2152	20	Partial curve; partial efficacy	-4.6137	4.095	0.8819	-45.8472	0.3681	-2.2	0 0 0 0 0 0 0 0	-45.4384	5.881	-8.1203	-9.1589	1.9871	4.5691	5.5262	-10.7271	-45.4384	QC'd by SIGMA	Cytotoxic	34.3762	35.9633	20	Partial curve; partial efficacy; poor fit	-4.4637	1.1	0.6483	-38.4633	-2.5	-2.4	0 0 0 0 0 0 0 0	-30.3861	3.9144	-10.9322
Inactive			0		-6.7137	3.99	0.8426	-7.8874	4.5	4	0 0 0 0 0 0 0 0	-2.8995	3.2347	5.8541	4.8413	1.1609	-11.9895	-9.9614	-6.4748	-2.8995	QC'd by SIGMA	Inactive			0		-6.2137	4.9549	0.3993	-9.8085	-1	4	0 0 0 0 0 0 0 1	-4.2361	1.0581	2.2314
Inactive			0					0	0	4		-8.8762	-5.923	-4.3846	-2.7844	-3.0174	-1.5782	0.4467	1.6153	-8.8762	QC'd by SIGMA	Inactive			0					0	0	4		-2.6033	-0.7522	-0.3781
Cytotoxic	13.6854	31.1922	20	Partial curve; partial efficacy; poor fit	-4.8637	4.095	0.987	-28.6922	2.5	-2.4	0 0 0 0 0 0 0 0	-29.3269	1.051	0.8291	3.0248	5.1988	2.4454	0.8952	-21.0544	-29.3269	QC'd by SIGMA	Cytotoxic	30.6379	39.1754	20	Single point of activity	-4.5137	2.6384	0.9942	-36.6754	2.5	-3	0 0 0 0 0 0 0 0	-33.845	2.1352	2.347
Cytotoxic	38.5708	79.7667	40	Partial curve; high efficacy	-4.4137	2.6384	0.9853	-84.0115	-4.2449	-2.1	0 0 0 0 0 0 0 0	-76.5239	-2.4554	-4.4134	0.9249	-10.1622	-3.8808	-5.616	-14.7247	-76.5239	QC'd by SIGMA	Cytotoxic	54.4827	85.0617	20	Single point of activity	-4.2637	3.2475	0.9911	-91.6046	-6.5429	-3	0 0 0 0 0 0 0 0	-78.4884	-7.7514	-8.9605
Cytotoxic	19.3312	37.876	20	Partial curve; partial efficacy	-4.7137	1.6259	0.9556	-35.9554	1.9206	-2.2	0 0 0 0 0 0 0 0	-33.2962	1.1258	-0.2194	8.2922	-0.9325	0.7345	0.067	-16.4636	-33.2962	QC'd by SIGMA	Cytotoxic	24.3365	37.7294	20	Single point of activity	-4.6137	4.9549	0.9857	-38.7294	-1	-3	0 0 0 0 0 0 0 0	-38.4602	-3.9414	-2.1898
Inactive			0					0	0	4		-2.4699	0.4231	1.1739	2.4494	-2.3903	-5.8621	-2.7542	2.1121	-2.4699	QC'd by SIGMA	Inactive			0					0	0	4		-2.214	-1.4625	-2.7485
Inactive			0		-4.6637	4.095	0.7411	12.5	-2.6799	4	0 0 0 0 0 0 0 0	12.3306	-2.456	-4.3783	0.7114	-1.0027	0.4255	-9.3166	2.9967	12.3306	QC'd by SIGMA	Inactive			0		-4.1637	4.9549	0.9448	19.5	0.2673	4	0 0 0 0 0 0 0 0	15.7501	-0.3604	1.1005
Cytotoxic	24.3365	30.0691	20	Single point of activity	-4.6137	4.095	0.9268	-30.5691	-0.5	-3	0 0 0 0 0 0 0 0	-30.4742	-6.1565	-0.1506	4.9067	-0.8949	0.097	-0.2413	-8.1828	-30.4742	QC'd by SIGMA	Cytotoxic	30.6379	41.7343	20	Single point of activity	-4.5137	3.2975	0.9593	-36.2343	5.5	-3	0 0 0 0 0 0 0 0	-33.4016	6.8803	7.6192
Inactive			0		-5.8637	0.4	0.9019	6.5	-8.1524	4	0 0 0 0 0 0 0 0	4.1776	-6.9275	-6.6426	-8.0437	-2.1876	-0.6978	-1.4072	3.4291	4.1776	QC'd by LightBiologicals	Inactive			0					0	0	4		6.6773	-1.8814	0.4883
Inactive			0		-4.6137	4.5045	0.9231	10	0.0777	4	0 0 0 0 0 0 0 0	10.0385	-0.4861	2.253	-0.5031	0.1597	0.9668	-0.7686	2.3892	10.0385	QC'd by SIGMA	Inactive			0					0	0	4		7.4959	-0.5175	-0.4627
Inconclusive	0.1536	32.6912	10	Partial curve; partial efficacy; poor fit	-6.8137	0.2	0.9301	16	-16.6912	2.4	0 0 0 0 0 0 0 0	11.0017	-10.576	-3.6335	-2.6864	-0.7838	3.3144	2.7405	6.3466	11.0017	QC'd by SIGMA	Inactive			0		-5.0137	1.7529	0.6399	6.5	-1.8564	4	0 0 0 0 0 0 0 0	6.2964	-1.4173	0.4366
Cytotoxic	48.5577	32.2382	20	Partial curve; partial efficacy; poor fit	-4.3137	1.1	0.9013	-36.0152	-3.7769	-2.4	0 0 0 0 0 0 0 0	-26.6793	-0.5468	-5.0549	-6.9535	-0.2308	-5.7352	-8.0532	-10.5038	-26.6793	QC'd by SIGMA	Inactive			0		-4.6137	1.4641	0.9003	-22.7063	-2.9147	4	0 0 0 0 0 0 0 0	-20.1719	-4.0675	-2.6739

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: PGC428

Protocol: Assay Protocol Summary:

The PGC/ERR cells were dispensed at 2,000 cells/5 ul/well in 1536-well white plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 6 hours, 23 nL of compounds dissolved in DMSO, positive and negative controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 18 hours. 4 ul/well of One-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 (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 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	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 0.00118 uM-Replicate_1	Activity at 0.00590 uM-Replicate_1	Activity at 0.029 uM-Replicate_1	Activity at 0.148 uM-Replicate_1	Activity at 0.737 uM-Replicate_1	Activity at 3.687 uM-Replicate_1	Activity at 18.43 uM-Replicate_1	Activity at 92.17 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	Fit_InfiniteActivity-Replicate_2	Fit_ZeroActivity-Replicate_2	Fit_CurveClass-Replicate_2	Excluded_Points-Replicate_2	Max_Response-Replicate_2	Activity at 0.00118 uM-Replicate_2	Activity at 0.00590 uM-Replicate_2
Inactive			0					0	0	4		2.4014	0.9759	0.3078	1.8904	-1.3214	1.1138	-1.6886	-2.5788	2.4014	QC'd by Enamine	Inactive			0					0	0	4		2.2787	-0.9694	-3.8908
Inactive			0					0	0	4		-2.9424	-0.1831	-2.1441	-0.8123	0.7356	-2.795	-3.3133	-0.3073	-2.9424	QC'd by Enamine	Inactive			0					0	0	4		1.5663	-0.9898	-2.1656
Inhibitor	1.9331	30.2505	0	Complete curve; partial efficacy	-5.7137	4.9549	0.9884	-32.7505	-2.5	-1.2	0 0 0 0 0 0 0 0	-32.7088	-2.9131	-4.6477	-3.9229	-1.6022	0.1764	-32.5182	-31.28	-32.7088	QC'd by Enamine	Inhibitor	2.169	35.3408	0	Complete curve; partial efficacy; poor fit	-5.6637	4.9549	0.9534	-35.2825	0.0583	-1.4	1 0 0 0 0 0 0 0	-36.4368	-31.3574	-4.1999
Inactive			0					0	0	4		4.2421	-5.0069	1.1218	-0.0147	1.4143	-0.7153	-1.8654	-1.0879	4.2421	QC'd by Enamine	Inactive			0					0	0	4		-2.4793	-2.9079	-3.184
Inactive			0		-4.2137	3.99	0.5455	-9.5512	0	4	0 0 0 0 0 0 0 0	-7.9593	-4.5488	4.5166	0.2512	-0.7312	-1.4819	1.47	-0.0426	-7.9593	QC'd by SIGMA	Inactive			0					0	0	4		-11.2315	-5.6697	-2.8914
Inactive			0					0	0	4		-4.1758	-2.8245	-1.4451	0.5422	-0.3307	-1.0244	1.948	0.1256	-4.1758	QC'd by SIGMA	Inactive			0					0	0	4		1.6001	-3.8564	1.804
Inactive			0					0	0	4		4.3768	-4.084	-2.0739	-1.1987	-0.2477	-0.4857	-0.7398	3.0879	4.3768	QC'd by SIGMA	Inactive			0					0	0	4		3.4197	-0.147	0.119
Inactive			0		-4.4137	4.045	0.787	-9.44	1	4	0 0 0 0 0 0 0 0	-9.1167	-0.8807	4.7479	-0.574	0.3676	1.5356	-0.5661	0.5529	-9.1167	QC'd by SIGMA	Inactive			0		-4.1637	4.9549	0.9155	-18.8168	-0.5	4	0 0 0 0 0 0 0 0	-15.264	-3.6443	1.0791
Inactive			0					0	0	4		4.5684	0.7369	1.2152	-0.4642	-5.374	0.7893	-5.2966	-0.667	4.5684	QC'd by SIGMA	Inactive			0					0	0	4		3.0771	1.5072	-1.0121
Inactive			0					0	0	4		5.8798	0.9788	-0.8043	-0.1683	0.5835	-0.0087	0.8357	-0.4308	5.8798	QC'd by SIGMA	Inactive			0					0	0	4		3.003	4.6097	-0.2019
Inactive			0		-4.7137	0.931	0.9667	16	-12.662	4	0 0 0 0 0 0 0 0	11.1718	-11.0163	-13.0889	-15.135	-12.7909	-8.7096	-8.7132	0.8549	11.1718	QC'd by SIGMA	Inactive			0		-4.6637	4.095	0.968	19	-8.2761	4	0 0 0 0 0 0 0 0	18.8245	-9.1995	-8.5885
Inactive			0		-4.1637	4.9549	0.9451	-31.7539	-2.5	4	0 0 0 0 0 0 0 0	-26.4616	-3.7295	-5.2291	-3.0969	-2.288	-3.5247	-2.3208	1.7484	-26.4616	QC'd by SIGMA	Inactive			0		-4.1637	4.9549	0.9334	-30.6082	-2.5	4	0 0 0 0 0 0 0 0	-25.5069	-2.7103	-5.3426
Inactive			0		-4.7137	4.9549	0.9407	-8.8985	0	4	0 0 0 0 0 0 0 0	-9.0821	0.3128	-1.4378	0.2924	-0.4192	0	1.586	-4.053	-9.0821	QC'd by SIGMA	Inactive			0		-4.5137	0.8	0.6738	-13.3555	1	4	0 0 0 0 0 0 0 0	-9.4629	0.6379	-2.0412
Inactive			0		-8.4137	0.7	0.5837	-1.0739	10	4	0 0 0 0 0 0 0 0	0.2982	7.4748	2.2392	2.1545	0.6818	0.246	-6.3116	1.3558	0.2982	QC'd by SIGMA	Inactive			0		-6.9137	4.9549	0.486	-0.784	6	4	0 0 0 0 0 0 0 0	0.2172	3.7318	1.5014
Inactive			0					0	0	4		-2.4014	0.9093	-2.3514	-1.26	-1.532	-1.0946	-1.4276	-1.3037	-2.4014	QC'd by SIGMA	Inactive			0					0	0	4		-0.9775	-6.6823	-0.2967
Activator	12.1972	42.8282	41	Complete curve; partial efficacy	-4.9137	2.9523	0.9876	42.7435	-0.0848	1.2	0 0 0 0 0 0 0 0	42.6198	-2.2542	-2.363	0.4008	-0.3011	3.4469	3.2687	32.9444	42.6198	QC'd by SIGMA	Activator	15.3553	43.4192	21	Partial curve; partial efficacy	-4.8137	1.4641	0.9046	46.6823	3.2631	2.2	0 0 0 0 0 0 0 0	43.8062	14.8809	1.3724
Inactive			0					0	0	4		1.3627	-0.0701	-2.0823	1.3683	0.0983	0.279	1.0733	-2.8305	1.3627	QC'd by LightBiologicals	Inactive			0					0	0	4		-0.9148	1.1123	-2.0113
Inactive			0		-4.6137	4.095	0.9366	10	-2.5752	4	0 0 0 0 0 0 0 0	9.8552	-1.1769	-2.1967	-4.1352	-1.5482	-4.2293	-3.6529	0.5324	9.8552	QC'd by SIGMA	Inactive			0		-4.1637	4.9549	0.9017	17.5	-2.6215	4	0 0 0 0 0 0 0 0	13.8866	-3.2503	-5.5179
Activator	7.6959	44.9412	41	Complete curve; partial efficacy	-5.1137	1.7529	0.9777	43.3726	-1.5686	1.2	0 0 0 0 0 0 0 0	42.7055	-6.7239	-3.1749	1.0732	-2.1893	3.3055	7.1127	35.9651	42.7055	QC'd by SIGMA	Activator	30.6379	38.3786	10	Partial curve; partial efficacy; poor fit	-4.5137	0.9	0.8902	48.3786	10	2.4	1 1 1 0 0 0 0 0	38.6065	23.462	20.9144
Inactive			0		-5.8137	1.5579	0.9841	-8.5398	1	4	0 0 0 0 0 0 0 1	1.167	1.75	1.3632	0.0535	0.9714	-1.3806	-6.7289	-8.3665	1.167	QC'd by SIGMA	Inactive			0		-5.5137	2.7202	0.8571	-9.4462	0	4	0 0 0 0 0 0 0 1	2.6963	2.3122	1.1111

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: ERR136

Protocol: Assay Protocol Summary:

The ERR cells were dispensed at 2,000 cells/5 ul/well in 1536-well white plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 6 hours, 23 nL of compounds dissolved in DMSO, positive and negative controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 18 hours. 4 ul/well of One-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 (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 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	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 0.00118 uM-Replicate_1	Activity at 0.00590 uM-Replicate_1	Activity at 0.029 uM-Replicate_1	Activity at 0.148 uM-Replicate_1	Activity at 0.737 uM-Replicate_1	Activity at 3.687 uM-Replicate_1	Activity at 18.43 uM-Replicate_1	Activity at 92.17 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	Fit_InfiniteActivity-Replicate_2	Fit_ZeroActivity-Replicate_2	Fit_CurveClass-Replicate_2	Excluded_Points-Replicate_2	Max_Response-Replicate_2	Activity at 0.00118 uM-Replicate_2	Activity at 0.00590 uM-Replicate_2
Inactive			0		-4.5137	4.9549	0.984	19.5	-3.0386	4	0 0 0 0 0 0 0 0	19.3676	-2.3612	-2.8082	-5.4488	-2.2489	-2.9112	-3.4175	-1.5592	19.3676	QC'd by Enamine	Inactive			0					0	0	4		-5.3517	2.0093	-6.4777
Inhibitor	48.5577	36.2106	0	Partial curve; partial efficacy; poor fit	-4.3137	0.9	0.8071	-45.4474	-9.2368	-2.4	0 0 0 0 0 0 0 0	-34.4298	-9.7122	-4.364	-11.671	-16.6813	-9.6787	-15.4098	-16.2365	-34.4298	QC'd by Enamine	Inactive			0					0	0	4		-11.0366	-0.9734	-7.3298
Inhibitor	43.2771	83.0092	0	Single point of activity	-4.3637	3.2975	0.9949	-84.0538	-1.0446	-3	0 0 0 0 0 0 0 0	-77.6923	-3.8792	2.7538	-2.3693	-0.5727	-1.6659	-0.0681	-5.2567	-77.6923	QC'd by Enamine	Inhibitor	43.2771	79.4537	0	Single point of activity	-4.3637	2.9523	0.9963	-81.306	-1.8523	-3	0 0 0 0 0 0 0 0	-73.3378	-0.4627	0.1851
Inactive			0		-4.4637	3.132	0.7667	-13.4494	-1	4	0 0 0 0 0 0 0 0	-12.8745	-0.3205	2.0373	-3.4545	-4.7462	0.0097	1.7226	-2.7713	-12.8745	QC'd by Enamine	Inactive			0		-4.3137	3.1925	0.8101	-17.6246	-2	4	0 0 0 0 0 0 0 0	-15.9372	-5.0774	-4.5471
Inhibitor	19.3312	45.6362	0	Partial curve; partial efficacy	-4.7137	4.9549	0.9167	-45.6272	0.009	-2.2	0 0 0 0 0 0 0 0	-45.7256	3.2263	-6.9994	4.1843	3.6048	-8.4573	3.4843	-19.3083	-45.7256	QC'd by SIGMA	Inhibitor	21.6899	48.5005	0	Partial curve; partial efficacy	-4.6637	4.095	0.955	-49.3184	-0.8179	-2.2	0 0 0 0 0 0 0 0	-48.9059	-6.2148	-3.7555
Inactive			0		-4.1637	1.111	0.7588	1.2662	-20.6459	4	0 0 0 0 0 0 0 0	-7.6949	-23.8716	-19.2362	-23.8279	-16.4076	-18.7298	-19.3953	-17.0738	-7.6949	QC'd by SIGMA	Inactive			0		-4.1637	1.5386	0.8357	0.58	-19.1956	4	0 0 0 0 0 0 0 0	-7.0166	-20.3188	-16.6054
Inactive			0		-4.6637	4.095	0.806	-16.8993	6.5	4	0 0 0 0 0 0 0 0	-16.9994	10.7352	1.8866	6.0484	12.4092	-0.0188	7.5808	-1.5316	-16.9994	QC'd by SIGMA	Inactive			0		-4.1637	4.9549	0.883	-20.9058	6.5	4	0 0 0 0 0 0 0 0	-15.7549	2.1816	9.7822
Inhibitor	43.2771	77.2713	0	Single point of activity	-4.3637	4.095	0.9569	-75.4579	1.8134	-3	0 0 0 0 0 0 0 0	-72.1788	2.6525	-2.2372	-1.5015	14.6872	-2.4099	0.1529	-0.4232	-72.1788	QC'd by SIGMA	Inhibitor	68.5896	81.5029	0	Single point of activity	-4.1637	4.9549	0.9901	-81.4852	0.0177	-3	0 0 0 0 0 0 0 0	-66.2581	-2.2615	-3.7766
Activator	4.8558	30	10	Complete curve; partial efficacy; poor fit	-5.3137	0.7	0.8541	34	4	1.4	0 0 0 0 0 0 0 0	29.4414	1.6175	2.9421	13.1338	1.6134	13.1357	14.46	28.5427	29.4414	QC'd by SIGMA	Activator	34.3762	55.9607	10	Partial curve; partial efficacy; poor fit	-4.4637	0.6	0.7935	56.3542	0.3935	2.4	0 0 0 0 0 0 0 0	42.9205	-1.4261	1.3781
Inhibitor	68.5896	34.5021	0	Partial curve; partial efficacy; poor fit	-4.1637	4.9549	0.973	-35.5021	-1	-2.4	0 0 0 0 0 0 0 0	-29.1684	-3.6431	-0.3877	0.69	0.4496	0.0486	-2.9593	0.4695	-29.1684	QC'd by SIGMA	Inactive			0		-4.6137	4.095	0.9877	-26.8039	-1.5	4	0 0 0 0 0 0 0 0	-26.5033	-0.4236	-2.0019
Activator	21.6899	156.7367	41	Partial curve; high efficacy	-4.6637	1.6436	0.9965	152.646	-4.0907	2.1	0 0 0 0 0 0 0 0	139.0219	-7.688	-5.9205	-2.6984	-6.4483	2.9206	3.3051	65.1579	139.0219	QC'd by SIGMA	Activator	21.6899	162.567	41	Partial curve; high efficacy	-4.6637	1.111	0.9904	149.6613	-12.9057	2.1	0 0 0 0 0 0 0 0	123.4829	-22.2955	-11.9211
Inhibitor	68.5896	112.3455	0	Single point of activity	-4.1637	4.9549	0.9828	-132.1561	-19.8107	-3	0 0 0 0 0 0 0 0	-111.2426	-20.1826	-20.8287	-18.7981	-28.0886	-17.1914	-20.5085	-12.8968	-111.2426	QC'd by SIGMA	Inhibitor	68.5896	86.7323	0	Single point of activity	-4.1637	4.4495	0.9873	-113.865	-27.1328	-3	0 0 0 0 0 0 0 0	-95.3644	-28.9816	-26.9911
Inactive			0		-7.6637	3.9295	0.7686	-7.228	2.5	4	0 0 0 0 0 0 0 0	-11.0234	1.0982	4.1458	-4.8418	-4.8691	-9.443	-3.8914	-6.5282	-11.0234	QC'd by SIGMA	Inactive			0		-4.1637	4.9549	0.651	-27.8917	-3	4	0 0 0 0 0 0 0 0	-23.2431	-6.656	-9.2309
Inactive			0		-4.4137	1.331	0.8987	14	-3.052	4	0 0 0 0 0 0 0 0	11.0873	-2.5867	-3.2326	-5.0433	-4.6999	-1.2799	0.1161	0.265	11.0873	QC'd by SIGMA	Inactive			0		-4.3637	4.045	0.8862	15	-0.2877	4	0 0 0 0 0 0 0 0	14.3678	1.375	-2.3231
Inactive			0		-6.1637	0.2	0.7754	24	-16.5518	4	0 0 0 0 0 0 0 0	17.516	-13.7932	-1.0086	-0.097	-3.6162	8.2188	2.0193	10.4517	17.516	QC'd by SIGMA	Inactive			0		-4.7637	1.3723	0.9275	16.5	-1.302	4	0 0 0 0 0 0 0 0	14.8217	-2.0042	-1.1245
Activator	6.859	78.3495	82	Complete curve; high efficacy	-5.1637	2.3531	0.9935	74.2594	-4.09	1.1	0 0 0 0 0 0 0 0	74.1184	-4.5486	-4.6511	-8.825	-2.3047	1.4657	10.4637	67.3659	74.1184	QC'd by SIGMA	Activator	10.8707	114.4278	43	Partial curve; high efficacy	-4.9637	1.4781	0.9985	115.0315	0.6037	2.1	0 0 0 0 0 0 0 0	113.4433	1.0343	0.5738
Inactive			0		-6.5137	4.9549	0.5499	-7.6782	0	4	0 0 0 0 0 0 0 1	-1.3248	-6.9886	1.9239	4.4246	1.2121	-9.7318	-6.8313	-5.9944	-1.3248	QC'd by LightBiologicals	Inactive			0					0	0	4		-8.6845	-1.797	-2.7987
Inactive			0		-5.4137	0.8	0.9004	6	-18.0994	4	0 0 0 0 0 0 0 1	-21.7232	-17.1597	-21.7495	-14.3887	-17.1525	-11.21	-8.446	2.3181	-21.7232	QC'd by SIGMA	Inactive			0		-5.2137	2.0937	0.8981	-0.2998	-16.2142	4	0 0 0 0 0 0 0 1	-31.9687	-17.1088	-15.6886
Activator	7.6959	120.5255	44	Partial curve; high efficacy	-5.1137	0.7	0.9928	114.4923	-6.0332	2.1	0 0 0 0 0 0 0 0	96.374	-4.3635	-4.0674	-6.7463	-2.6313	20.3098	36.6715	72.0317	96.374	QC'd by SIGMA	Activator	21.6899	154.6023	41	Partial curve; high efficacy	-4.6637	0.7	0.9681	162.6482	8.0459	2.1	1 0 0 0 0 0 0 0	124.9218	36.9817	11.0863
Inhibitor	68.5896	53.6839	0	Single point of activity	-4.1637	4.9549	0.8843	-56.1458	-2.4619	-3	0 0 0 0 0 0 0 0	-46.1475	-3.3066	-1.056	-2.431	-2.1781	-4.9409	-11.8439	8.4719	-46.1475	QC'd by SIGMA	Inhibitor	68.5896	53.3979	0	Single point of activity	-4.1637	3.99	0.8078	-57.5482	-4.1503	-3	0 0 0 0 0 0 0 0	-45.1122	1.3906	-2.0624

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: PGC756

Protocol: Tox21 Assay Protocol Summary:

The PGC/ERR cells were dispensed at 2,000 cells/5 ul/well in 1536-well white plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 6 hours, 23 nL of compounds dissolved in DMSO, positive and negative controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 18 hours. 4 ul/well of One-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 (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 0.00118 uM-Replicate_1	Activity at 0.00590 uM-Replicate_1	Activity at 0.029 uM-Replicate_1	Activity at 0.148 uM-Replicate_1	Activity at 0.737 uM-Replicate_1	Activity at 3.687 uM-Replicate_1	Activity at 18.43 uM-Replicate_1	Activity at 92.17 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	Fit_InfiniteActivity-Replicate_2	Fit_ZeroActivity-Replicate_2	Fit_CurveClass-Replicate_2	Excluded_Points-Replicate_2	Max_Response-Replicate_2	Activity at 0.00118 uM-Replicate_2	Activity at 0.00590 uM-Replicate_2
Inactive			0		-7.8637	4.9549	0.469	1	-10.8907	4	0 0 0 0 0 0 0 0	8.2951	-3.5934	-17.8256	3.728	-3.3143	-3.1544	-3.4117	4.352	8.2951	QC'd by Enamine	Inactive			0		-5.9137	4.9549	0.4894	8.5	1.1757	4	0 0 0 0 0 0 0 0	8.4835	5.7	-2.2368
Inactive			0		-7.2137	4.9549	0.4083	2.5	-6.3087	4	0 0 0 0 0 0 0 1	-10.1762	-3.3308	-8.1739	-6.9218	4.2664	11.9083	-0.5284	-5.8356	-10.1762	QC'd by Enamine	Inactive			0		-7.2137	4.9549	0.3691	-6.9367	-1.5	4	0 0 0 0 0 0 0 0	-5.5669	-7.1362	-0.1385
Inhibitor	1.9331	113.2104	87	Complete curve; high efficacy	-5.7137	4.9549	0.9846	-123.2827	-10.0723	-1.1	0 0 0 0 0 0 0 0	-117.206	-10.7699	-22.4888	-12.4254	-6.5118	0.6162	-122.7414	-125.2872	-117.206	QC'd by Enamine	Inhibitor	1.9331	120.5184	10	Complete curve; high efficacy; poor fit	-5.7137	4.9549	0.9442	-119.76	0.7584	-1.3	1 0 0 0 0 0 0 0	-113.3163	-116.2959	-15.8547
Inactive			0		-8.8137	4.9549	0.6276	-1.5	-23.3309	4	0 0 0 0 0 0 0 0	-6.9561	-18.6091	4.2346	-0.0563	5.7534	-2.7207	-6.6784	-4.0458	-6.9561	QC'd by Enamine	Inactive			0		-4.9137	4.9549	0.6713	3	-13.2829	4	0 0 0 0 0 0 0 1	-8.9666	-10.8624	-14.0596
Inhibitor	48.5577	34.1283	10	Partial curve; partial efficacy; poor fit	-4.3137	1.5936	0.9877	-48.5369	-14.4086	-2.4	0 0 0 0 0 0 0 0	-39.4219	-12.8405	-14.8776	-15.1051	-14.86	-12.8749	-15.8706	-20.1132	-39.4219	QC'd by SIGMA	Inhibitor	68.5896	42.3076	10	Single point of activity	-4.1637	3.99	0.6044	-42.2405	0.0671	-3	0 0 0 0 0 0 0 0	-32.3397	-15.8681	16.9894
Inactive			0		-7.9637	4.9549	0.74	1.5	-10.3559	4	0 0 0 0 0 0 0 1	-15.0169	-9.9531	-10.7133	4.5939	-1.7304	-1.4546	7.6602	-0.5767	-15.0169	QC'd by SIGMA	Inactive			0					0	0	4		-14.859	-13.2163	-9.3098
Inactive			0		-6.5137	4.9549	0.5989	9	-2.5133	4	0 0 0 0 0 0 0 0	11.6973	0.7846	2.1119	-10.0111	-3.6852	12.1734	0.7181	11.6184	11.6973	QC'd by SIGMA	Inactive			0							4	0 0 0 0 0 0 0 0	16.3373	-14.8015	-9.7381
Inhibitor	68.5896	32.1905	10	Partial curve; partial efficacy; poor fit	-4.1637	4.9549	0.9333	-32.1905	0	-2.4	0 0 0 0 0 0 0 0	-25.9921	-0.7561	0.9798	-0.5164	1.0571	-2.5971	-2.1889	5.2808	-25.9921	QC'd by SIGMA	Inhibitor	54.4827	38.5511	10	Single point of activity	-4.2637	3.6772	0.7506	-35.4732	3.0779	-3	0 0 0 0 0 0 0 0	-30.5241	-3.2703	17.9183
Activator	7.6959	32.0988	0	Complete curve; partial efficacy; poor fit	-5.1137	1.1705	0.8938	5.5	-26.5988	1.4	0 0 0 0 0 0 0 0	3.0626	-32.5823	-21.1084	-29.0917	-26.3315	-18.7973	-20.4148	-1.3299	3.0626	QC'd by SIGMA	Inactive			0		-7.4637	4.5045	0.4143	-10.3373	3.5	4	0 0 0 0 0 0 0 1	7.4746	2.6691	4.4156
Inactive			0		-8.8137	4.4495	0.58	1.0395	22.5	4	0 0 0 0 0 0 0 1	19.82	17.5365	-0.7335	-0.8269	12.2606	-2.4868	1.3946	-4.1337	19.82	QC'd by SIGMA	Inactive			0					0	0	4		4.4393	-3.4032	1.9365
Activator	9.6885	87.4438	0	Partial curve; high efficacy	-5.0137	1.111	0.98	35.4518	-51.9921	2.1	0 0 0 0 0 0 0 0	31.4522	-53.6971	-45.0647	-53.1956	-58.3066	-41.7857	-30.3215	4.6858	31.4522	QC'd by SIGMA	Activator	24.3365	131.0677	0	Partial curve; high efficacy	-4.6137	1.1341	0.9704	82.8838	-48.1839	2.1	0 0 0 0 0 0 0 0	60.7185	-41.9229	-50.2592
Inhibitor	68.5896	102.9994	10	Single point of activity	-4.1637	4.9549	0.9126	-112.465	-9.4656	-3	0 0 0 0 0 0 0 0	-93.2546	-12.8632	-27.0848	-7.3454	-8.8555	-9.7568	-7.9788	6.4016	-93.2546	QC'd by SIGMA	Inhibitor	68.5896	85.6084	10	Single point of activity	-4.1637	4.9549	0.944	-101.5037	-15.8953	-3	0 0 0 0 0 0 0 0	-85.4409	-16.1487	-18.1915
Inhibitor	21.6899	34.0329	10	Partial curve; partial efficacy; poor fit	-4.6637	1.4787	0.8531	-36.5329	-2.5	-2.4	0 0 1 0 0 0 0 0	-32.9441	2.3801	-9.1423	23.5287	-7.2626	4.059	-6.3199	-16.9462	-32.9441	QC'd by SIGMA	Inactive			0		-4.7637	3.9295	0.9033	-24.5486	0	4	0 0 0 0 0 0 0 0	-24.6238	1.1616	-5.4271
Inactive			0		-8.3637	0.6	0.5758	-5.197	34.4971	4	0 0 0 0 0 0 0 0	-1.4924	26.0819	7.1686	7.2743	2.4662	-0.9291	-23.9122	5.1445	-1.4924	QC'd by SIGMA	Inactive			0		-6.0637	2.4064	0.6203	-9.3867	7.5	4	0 0 1 0 0 0 0 1	-0.2992	13.0551	4.9918
Inactive			0		-8.8137	4.9549	0.7618	-4.635	6	4	0 0 0 0 0 0 0 1	0.8932	3.8508	-8.0292	-4.7013	-4.9681	-1.7031	-4.6863	-4.947	0.8932	QC'd by SIGMA	Inactive			0		-6.1637	3.9295	0.6036	3	-4.9181	4	0 0 0 0 0 0 0 1	-8.3052	-1.6572	-3.0816
Activator	9.6885	153.0317	0	Complete curve; high efficacy	-5.0137	2.9523	0.9881	152.6925	-0.3392	1.1	0 0 0 0 0 0 0 0	154.2348	-8.4111	-10.5839	3.4205	-1.1715	12.0406	12.3376	130.2412	154.2348	QC'd by SIGMA	Activator	13.6854	129.3216	0	Complete curve; high efficacy	-4.8637	4.9549	0.9964	137.3807	8.059	1.1	1 0 0 0 0 0 0 0	137.9324	49.1111	13.295
Inactive			0		-4.9137	4.9549	0.444	-12.549	0.5	4	0 0 0 0 0 0 0 1	5.8614	-0.0331	-9.3267	6.6938	-0.2531	2.4938	4.0461	-11.2909	5.8614	QC'd by LightBiologicals	Inactive			0					0	0	4		-2.7991	-4.8479	-7.8846
Activator	24.3365	41.7084	0	Single point of activity	-4.6137	4.095	0.9319	32.657	-9.0514	3	0 0 0 0 0 0 0 0	32.0784	-3.5663	-7.3386	-15.2356	-4.8834	-11.4699	-12.6514	1.9239	32.0784	QC'd by SIGMA	Activator	48.5577	46.2517	0	Single point of activity	-4.3137	4.9549	0.8855	37.4014	-8.8502	3	0 0 0 0 0 0 0 0	35.5314	-6.6661	-5.471
Activator	6.1131	159.8273	0	Complete curve; high efficacy	-5.2137	2.5334	0.9773	152.783	-7.0443	1.1	0 0 0 0 0 0 0 0	153.3966	-25.2204	-14.0852	3.3931	-8.5929	11.3305	26.7308	143.426	153.3966	QC'd by SIGMA	Activator	24.3365	60.2515	0	Partial curve; high efficacy; poor fit	-4.6137	4.095	0.6456	118.7035	58.4519	2.3	0 0 0 0 0 0 0 0	117.7614	80.3348	82.544
Inhibitor	1.7229	39.4729	22	Partial curve; partial efficacy	-5.7637	1.4163	0.986	-34.9729	4.5	-2.2	0 0 0 0 0 0 0 1	4.4837	6.7397	5.8901	0.5827	3.8988	-4.4773	-25.2126	-33.3108	4.4837	QC'd by SIGMA	Inhibitor	6.859	39.3861	21	Partial curve; partial efficacy	-5.1637	0.8	0.943	-41.2694	-1.8833	-2.2	0 0 0 0 0 0 0 1	8.8427	-1.1528	-2.3725

57-41-0 靶点实验数据