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: CHEMBL5368996

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 19
First Page: 13452
Last Page: 13480
DOI: 10.1021/acs.jmedchem.3c00697

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	11.8
Ratio CC50/EC50	=	109
Ratio CC50/EC50	>	1250

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

来源：NCGC 靶标：

External ID: SNCA-p-activity-luciferase

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

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

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

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

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

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

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL5368982

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 19
First Page: 13452
Last Page: 13480
DOI: 10.1021/acs.jmedchem.3c00697

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	3852
Ratio CC50/EC50	=	131
Ratio CC50/EC50	>	500

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

来源：ChEMBL 靶标：Leishmania donovani

External ID: CHEMBL3054149

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Med Chem Res
Year: 2005
Volume: 14
Issue: 6
First Page: 332
Last Page: 346
DOI: 10.1007/s00044-006-0142-6

Target ChEMBL ID: CHEMBL367
ChEMBL Target Name: Leishmania donovani
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
9.31	EC50	=	9310	nM
61.65	EC50	=	61650	nM

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

来源：ChEMBL 靶标：Trypanosoma brucei

External ID: CHEMBL5368979

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 19
First Page: 13452
Last Page: 13480
DOI: 10.1021/acs.jmedchem.3c00697

Target ChEMBL ID: CHEMBL612849
ChEMBL Target Name: Trypanosoma brucei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
12.5	EC50	=	12500	nM
5.75	EC50	=	5750	nM
28.1	EC50	=	28100	nM

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

来源：ChEMBL 靶标：Trypanosoma brucei rhodesiense

External ID: CHEMBL1073230

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2009
Volume: 17
Issue: 18
First Page: 6651
Last Page: 6658
DOI: 10.1016/j.bmc.2009.07.080

Target ChEMBL ID: CHEMBL612348
ChEMBL Target Name: Trypanosoma brucei rhodesiense
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
Survival	>	57.5	day
Survival	>	57.75	day
Survival	>	47.75	day

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: CHEMBL5368980

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 19
First Page: 13452
Last Page: 13480
DOI: 10.1021/acs.jmedchem.3c00697

Standard Type	Standard Relation	Standard Value
Ratio EC50	=	325
Ratio EC50	=	1.23
Ratio EC50	=	0.4

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

来源：ChEMBL 靶标：Trypanosoma brucei rhodesiense

External ID: CHEMBL1073231

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2009
Volume: 17
Issue: 18
First Page: 6651
Last Page: 6658
DOI: 10.1016/j.bmc.2009.07.080

Target ChEMBL ID: CHEMBL612348
ChEMBL Target Name: Trypanosoma brucei rhodesiense
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
Survival	>	38	day
Survival	>	46	day

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

来源：ChEMBL 靶标：Trypanosoma brucei

External ID: CHEMBL5368978

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 19
First Page: 13452
Last Page: 13480
DOI: 10.1021/acs.jmedchem.3c00697

Target ChEMBL ID: CHEMBL612849
ChEMBL Target Name: Trypanosoma brucei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
10.5	EC50	=	10500	nM
5.56	EC50	=	5560	nM
15.5	EC50	=	15500	nM

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: CHEMBL4349891

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2019
Volume: 29
Issue: 16
First Page: 2203
Last Page: 2207
DOI: 10.1016/j.bmcl.2019.06.045

Standard Type	Standard Relation	Standard Value	Standard Units
Drug metabolism	=	82	%

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: CHEMBL1073226

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2009
Volume: 17
Issue: 18
First Page: 6651
Last Page: 6658
DOI: 10.1016/j.bmc.2009.07.080

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	0.05
Ratio IC50	=	0.3
Ratio IC50	=	3.6

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

来源：ChEMBL 靶标：L6

External ID: CHEMBL1073227

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2009
Volume: 17
Issue: 18
First Page: 6651
Last Page: 6658
DOI: 10.1016/j.bmc.2009.07.080

Target ChEMBL ID: CHEMBL614793
ChEMBL Target Name: L6
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
40.9	IC50	=	40900	nM
25.6	IC50	=	25600	nM
28.3	IC50	=	28300	nM

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

来源：ChEMBL 靶标：Trypanosoma brucei rhodesiense

External ID: CHEMBL1073224

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2009
Volume: 17
Issue: 18
First Page: 6651
Last Page: 6658
DOI: 10.1016/j.bmc.2009.07.080

Target ChEMBL ID: CHEMBL612348
ChEMBL Target Name: Trypanosoma brucei rhodesiense
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.016	IC50	=	16	nM
0.047	IC50	=	47	nM
0.007	IC50	=	7	nM

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1073225

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem
Year: 2009
Volume: 17
Issue: 18
First Page: 6651
Last Page: 6658
DOI: 10.1016/j.bmc.2009.07.080

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
9.0E-4	IC50	=	0.9	nM
0.0101	IC50	=	10.1	nM
0.0025	IC50	=	2.5	nM

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

来源：ChEMBL 靶标：Leishmania infantum

External ID: CHEMBL3381331

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 21
First Page: 6250
Last Page: 6255
DOI: 10.1016/j.bmc.2014.08.020

Target ChEMBL ID: CHEMBL612848
ChEMBL Target Name: Leishmania infantum
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 Comment
EC50				Not Determined
EC50	=	20.44	ug.mL-1
EC50	=	23.93	ug.mL-1
EC50	=	20.81	ug.mL-1
EC50	=	18.53	ug.mL-1
EC50	=	14.93	ug.mL-1
EC50	=	10.95	ug.mL-1

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

来源：ChEMBL 靶标：Leishmania infantum

External ID: CHEMBL3381330

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 21
First Page: 6250
Last Page: 6255
DOI: 10.1016/j.bmc.2014.08.020

Target ChEMBL ID: CHEMBL612848
ChEMBL Target Name: Leishmania infantum
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 Comment	Data Validity Comment
EC50	=	5.3	ug.mL-1
EC50				Not Determined
EC50	=	12.85	ug.mL-1
EC50	=	56.13	ug.mL-1		Outside typical range
EC50	=	23.21	ug.mL-1
EC50	=	10.58	ug.mL-1
EC50	=	9.07	ug.mL-1

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL3381332

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 21
First Page: 6250
Last Page: 6255
DOI: 10.1016/j.bmc.2014.08.020

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Survival	=	85.6	%
Survival	=	98.5	%
Survival	=	36.5	%
Survival	=	29	%
Survival	>	100	%
Survival	=	97.7	%
Survival	>	100	%

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

来源：ChEMBL 靶标：Nucleic Acid

External ID: CHEMBL1073232

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2009
Volume: 17
Issue: 18
First Page: 6651
Last Page: 6658
DOI: 10.1016/j.bmc.2009.07.080

Target ChEMBL ID: CHEMBL345
ChEMBL Target Name: Nucleic Acid
ChEMBL Target Type: NUCLEIC-ACID - Target is DNA, RNA or PNA
Relationship Type: M - Molecular target other than protein assigned
Confidence: Target assigned is molecular non-protein target

Standard Type	Standard Relation	Standard Value	Standard Units
Delta Tm	=	12.6	degrees C
Delta Tm	=	25	degrees C
Delta Tm	=	17.1	degrees C

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: CHEMBL4349896

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2019
Volume: 29
Issue: 16
First Page: 2203
Last Page: 2207
DOI: 10.1016/j.bmcl.2019.06.045

Standard Type	Standard Relation	Standard Value	Standard Units
Retention_time	=	25.4	min

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

来源：ChEMBL 靶标：Trypanosoma brucei brucei

External ID: CHEMBL2405906

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 65
First Page: 284
Last Page: 294
DOI: 10.1016/j.ejmech.2013.04.066

Target ChEMBL ID: CHEMBL612851
ChEMBL Target Name: Trypanosoma brucei brucei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
8.66	IC50	=	8660	nM
2.95	IC50	=	2950	nM

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

来源：ChEMBL 靶标：Vero

External ID: CHEMBL2405901

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 65
First Page: 284
Last Page: 294
DOI: 10.1016/j.ejmech.2013.04.066

Target ChEMBL ID: CHEMBL391
ChEMBL Target Name: Vero
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
64.96	IC50	=	64960	nM
7.05	IC50	=	7050	nM
41.65	IC50	=	41650	nM
100	IC50	=	100000	nM
3.77	IC50	=	3770	nM

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

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL2405898

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 65
First Page: 284
Last Page: 294
DOI: 10.1016/j.ejmech.2013.04.066

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

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	11.4
Ratio IC50	=	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：Nucleic Acid

External ID: CHEMBL827490

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2005
Volume: 48
Issue: 17
First Page: 5480
Last Page: 5488
DOI: 10.1021/jm058190h

Target ChEMBL ID: CHEMBL345
ChEMBL Target Name: Nucleic Acid
ChEMBL Target Type: NUCLEIC-ACID - Target is DNA, RNA or PNA
Relationship Type: M - Molecular target other than protein assigned
Confidence: Target assigned is molecular non-protein target

Standard Type	Standard Relation	Standard Value	Standard Units
Delta Tm	=	12.6	degrees C
Delta Tm	=	25	degrees C

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

来源：ChEMBL 靶标：Leishmania amazonensis

External ID: CHEMBL4056312

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 15
First Page: 3490
Last Page: 3494
DOI: 10.1016/j.bmcl.2017.05.071

Target ChEMBL ID: CHEMBL612877
ChEMBL Target Name: Leishmania amazonensis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
50	IC50	>	50000	nM
	IC50				Not Determined
7.23	IC50	=	7230	nM
50	IC50	>	50000	nM
3.43	IC50	=	3430	nM
6.42	IC50	=	6420	nM
0.88	IC50	=	880	nM

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

来源：ChEMBL 靶标：Trypanosoma brucei

External ID: CHEMBL5240906

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 81
First Page: 129123
Last Page: 129123
DOI: 10.1016/j.bmcl.2023.129123

Target ChEMBL ID: CHEMBL612849
ChEMBL Target Name: Trypanosoma brucei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.84	EC50	=	840	nM
0.2	EC50	=	200	nM
0.24	EC50	=	240	nM
4	EC50	>	4000	nM
1.42	EC50	=	1420	nM
0.31	EC50	=	310	nM
0.36	EC50	=	360	nM
4	EC50	>	4000	nM
4	EC50	>	4000	nM
4	EC50	>	4000	nM
4	EC50	>	4000	nM
1.78	EC50	=	1780	nM
3.29	EC50	=	3290	nM
4	EC50	>	4000	nM
2.51	EC50	=	2510	nM
4	EC50	>	4000	nM
4	EC50	>	4000	nM

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

来源：ChEMBL 靶标：Leishmania mexicana

External ID: CHEMBL4056313

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 15
First Page: 3490
Last Page: 3494
DOI: 10.1016/j.bmcl.2017.05.071

Target ChEMBL ID: CHEMBL612880
ChEMBL Target Name: Leishmania mexicana
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	IC50	>	50000	nM
3.1	IC50	=	3100	nM
6.18	IC50	=	6180	nM
50	IC50	>	50000	nM
16.59	IC50	=	16590	nM
17.14	IC50	=	17140	nM
6.77	IC50	=	6770	nM

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

来源：ChEMBL 靶标：Giardia intestinalis

External ID: CHEMBL4056310

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 15
First Page: 3490
Last Page: 3494
DOI: 10.1016/j.bmcl.2017.05.071

Target ChEMBL ID: CHEMBL612652
ChEMBL Target Name: Giardia intestinalis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
5.36	IC50	=	5360	nM
	IC50				Not Determined
1.214	IC50	=	1214	nM
29.571	IC50	=	29571	nM
0.172	IC50	=	172	nM
0.227	IC50	=	227	nM
0.145	IC50	=	145	nM

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

来源：ChEMBL 靶标：Leishmania donovani

External ID: CHEMBL886072

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2007
Volume: 15
Issue: 11
First Page: 3919
Last Page: 3925
DOI: 10.1016/j.bmc.2006.11.024

Target ChEMBL ID: CHEMBL367
ChEMBL Target Name: Leishmania donovani
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
IC50	=	2.8	ug.mL-1
IC90	=	10	ug.mL-1
IC50	=	0.18	ug.mL-1
IC90	=	1.8	ug.mL-1

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

来源：ChEMBL 靶标：Trichomonas vaginalis

External ID: CHEMBL4056311

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 15
First Page: 3490
Last Page: 3494
DOI: 10.1016/j.bmcl.2017.05.071

Target ChEMBL ID: CHEMBL612884
ChEMBL Target Name: Trichomonas vaginalis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
0.29	IC50	=	290	nM
	IC50				Not Determined
0.068	IC50	=	68	nM
52.859	IC50	=	52859	nM
0.032	IC50	=	32	nM
0.045	IC50	=	45	nM
0.134	IC50	=	134	nM

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

来源：ChEMBL 靶标：HEK293

External ID: CHEMBL5240907

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 81
First Page: 129123
Last Page: 129123
DOI: 10.1016/j.bmcl.2023.129123

Target ChEMBL ID: CHEMBL614818
ChEMBL Target Name: HEK293
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
9.74	CC50	=	9740	nM
3.58	CC50	=	3580	nM
1.45	CC50	=	1450	nM
20	CC50	>	20000	nM
7.64	CC50	=	7640	nM
4.27	CC50	=	4270	nM
0.3	CC50	=	300	nM
20	CC50	>	20000	nM
20	CC50	>	20000	nM
20	CC50	>	20000	nM
9.79	CC50	=	9790	nM
5.56	CC50	=	5560	nM
6.73	CC50	=	6730	nM
20	CC50	>	20000	nM
20	CC50	>	20000	nM
20	CC50	>	20000	nM
20	CC50	>	20000	nM

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

来源：ChEMBL 靶标：Vero

External ID: CHEMBL4056316

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 15
First Page: 3490
Last Page: 3494
DOI: 10.1016/j.bmcl.2017.05.071

Target ChEMBL ID: CHEMBL391
ChEMBL Target Name: Vero
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
387	CC50	=	387000	nM
32	CC50	=	32000	nM
833	CC50	=	833000	nM
441	CC50	=	441000	nM
21.97	CC50	=	21970	nM
201.4	CC50	=	201400	nM
12.96	CC50	=	12960	nM

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: CHEMBL796296

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1998
Volume: 41
Issue: 20
First Page: 3872
Last Page: 3878
DOI: 10.1021/jm980230c

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
Control	=	1.82	%

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

来源：ChEMBL 靶标：Trypanosoma cruzi

External ID: CHEMBL4056315

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 15
First Page: 3490
Last Page: 3494
DOI: 10.1016/j.bmcl.2017.05.071

Target ChEMBL ID: CHEMBL368
ChEMBL Target Name: Trypanosoma cruzi
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	IC50	>	50000	nM
7.45	IC50	=	7450	nM
18.73	IC50	=	18730	nM
50	IC50	>	50000	nM
12.22	IC50	=	12220	nM
14.95	IC50	=	14950	nM
50	IC50	>	50000	nM

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

来源：ChEMBL 靶标：Poly(dA-dT)oligonucleotide

External ID: CHEMBL1781266

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2010
Volume: 18
Issue: 2
First Page: 557
Last Page: 566
DOI: 10.1016/j.bmc.2009.12.011

Target ChEMBL ID: CHEMBL613826
ChEMBL Target Name: Poly(dA-dT)oligonucleotide
ChEMBL Target Type: NUCLEIC-ACID - Target is DNA, RNA or PNA
Relationship Type: M - Molecular target other than protein assigned
Confidence: Target assigned is molecular non-protein target

Standard Type	Standard Relation	Standard Value	Standard Units
Delta Tm	=	12.6	degrees C
Delta Tm	=	25	degrees C
Delta Tm	>	27	degrees C

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

来源：ChEMBL 靶标：Trypanosoma brucei rhodesiense

External ID: CHEMBL1781268

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2010
Volume: 18
Issue: 2
First Page: 557
Last Page: 566
DOI: 10.1016/j.bmc.2009.12.011

Target ChEMBL ID: CHEMBL612348
ChEMBL Target Name: Trypanosoma brucei rhodesiense
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0077	IC50	=	7.7	nM
8.723	IC50	=	8723	nM
0.006	IC50	=	6	nM

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

来源：ChEMBL 靶标：L6

External ID: CHEMBL1781267

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2010
Volume: 18
Issue: 2
First Page: 557
Last Page: 566
DOI: 10.1016/j.bmc.2009.12.011

Target ChEMBL ID: CHEMBL614793
ChEMBL Target Name: L6
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
17	IC50	=	17000	nM
8.4	IC50	=	8400	nM
8.7	IC50	=	8700	nM

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: CHEMBL1781270

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2010
Volume: 18
Issue: 2
First Page: 557
Last Page: 566
DOI: 10.1016/j.bmc.2009.12.011

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	15533
Ratio IC50	=	2093
Ratio IC50	=	51

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1781269

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem
Year: 2010
Volume: 18
Issue: 2
First Page: 557
Last Page: 566
DOI: 10.1016/j.bmc.2009.12.011

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
5.0E-4	IC50	=	0.5	nM
0.858	IC50	=	858	nM
0.0038	IC50	=	3.8	nM

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: CHEMBL1781271

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2010
Volume: 18
Issue: 2
First Page: 557
Last Page: 566
DOI: 10.1016/j.bmc.2009.12.011

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	991
Ratio IC50	=	486
Ratio IC50	=	287

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

来源：ChEMBL 靶标：Nucleic Acid

External ID: CHEMBL862693

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 12
First Page: 3748
Last Page: 3752
DOI: 10.1021/jm060295c

Target ChEMBL ID: CHEMBL345
ChEMBL Target Name: Nucleic Acid
ChEMBL Target Type: NUCLEIC-ACID - Target is DNA, RNA or PNA
Relationship Type: M - Molecular target other than protein assigned
Confidence: Target assigned is molecular non-protein target

Standard Type	Activity Comment
Activity	Active
Activity	Not Determined
Activity	Active

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

来源：ChEMBL 靶标：C2C12

External ID: CHEMBL4833071

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: J Med Chem
Year: 2021
Volume: 64
Issue: 17.0
First Page: 13054
Last Page: 13071
DOI: 10.1021/acs.jmedchem.1c01151

Target ChEMBL ID: CHEMBL612655
ChEMBL Target Name: C2C12
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
10	CC50	>	10000	nM
10	CC50	=	10000	nM
9	CC50	=	9000	nM
10	CC50	>	10000	nM

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

来源：ChEMBL 靶标：Trypanosoma cruzi

External ID: CHEMBL4833070

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: J Med Chem
Year: 2021
Volume: 64
Issue: 17.0
First Page: 13054
Last Page: 13071
DOI: 10.1021/acs.jmedchem.1c01151

Target ChEMBL ID: CHEMBL368
ChEMBL Target Name: Trypanosoma cruzi
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
5.9	EC50	=	5900	nM
0.93	EC50	=	930	nM
0.5	EC50	=	500	nM
7	EC50	=	7000	nM

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: CHEMBL1219551

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2010
Volume: 53
Issue: 16
First Page: 6100
Last Page: 6111
DOI: 10.1021/jm100507q

Standard Type	Standard Relation	Standard Value	Activity Comment
Ratio IC50			Not Determined
Ratio IC50			Not Determined
Ratio IC50			Not Determined
Ratio IC50	=	3.5
Ratio IC50			Not Determined

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: CHEMBL1219550

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2010
Volume: 53
Issue: 16
First Page: 6100
Last Page: 6111
DOI: 10.1021/jm100507q

Standard Type	Standard Relation	Standard Value	Activity Comment
Ratio IC50			Not Determined
Ratio IC50			Not Determined
Ratio IC50			Not Determined
Ratio IC50	=	4.9
Ratio IC50			Not Determined

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

来源：ChEMBL 靶标：Vero

External ID: CHEMBL1219549

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2010
Volume: 53
Issue: 16
First Page: 6100
Last Page: 6111
DOI: 10.1021/jm100507q

Target ChEMBL ID: CHEMBL391
ChEMBL Target Name: Vero
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
IC50				Not Determined
IC50				Not Determined
IC50				Not Determined
IC50	=	1.375	ug.mL-1
IC50				Not Determined

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1219548

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2010
Volume: 53
Issue: 16
First Page: 6100
Last Page: 6111
DOI: 10.1021/jm100507q

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
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 Comment
IC50				Not Determined
IC50	=	0.147	ug.mL-1
IC50				Not Determined
IC50	=	0.392	ug.mL-1
IC50	=	0.0091	ug.mL-1

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1219547

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2010
Volume: 53
Issue: 16
First Page: 6100
Last Page: 6111
DOI: 10.1021/jm100507q

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
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 Comment
IC50				Not Determined
IC50	=	0.012	ug.mL-1
IC50				Not Determined
IC50	=	0.279	ug.mL-1
IC50	=	0.0066	ug.mL-1

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

来源：ChEMBL 靶标：Trypanosoma brucei brucei

External ID: CHEMBL4833073

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: J Med Chem
Year: 2021
Volume: 64
Issue: 17.0
First Page: 13054
Last Page: 13071
DOI: 10.1021/acs.jmedchem.1c01151

Target ChEMBL ID: CHEMBL612851
ChEMBL Target Name: Trypanosoma brucei brucei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	EC50	>	50000	nM
13.8	EC50	=	13800	nM
15.1	EC50	=	15100	nM
25	EC50	=	25000	nM

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

来源：ChEMBL 靶标：Leishmania donovani

External ID: CHEMBL1219546

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2010
Volume: 53
Issue: 16
First Page: 6100
Last Page: 6111
DOI: 10.1021/jm100507q

Target ChEMBL ID: CHEMBL367
ChEMBL Target Name: Leishmania donovani
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 Comment	Data Validity Comment
IC50	=	1.17	ug.mL-1
IC90	=	2.45	ug.mL-1
IC50				Not Determined
IC90				Not Determined
IC50	=	0.079	ug.mL-1
IC90	=	0.395	ug.mL-1
IC50	=	21.5	ug.mL-1
IC90	=	51.7	ug.mL-1		Outside typical range
IC50				Not Determined
IC90				Not Determined

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

来源：NCGC 靶标：N/A

External ID: BPDCN-GEN22

Protocol: A total of 500 exponentially growing Gen2.2 cells were seeded per well in 5 uL of media (RPMI + Glutamine, without phenol red plus10% FBS and 1X Pen/Strep) into 1536-well solid white high base tissue culture treated Greiner One Bio Plates (789173-F), using a multidrop combi dispenser and a small sterile cassette. Compounds and controls totaling 23nL per well (negative control DMSO and positive control 9.2 uM Bortezomib-final) were immediately added to the plates using a 1536 head pin tool from Kalypsys. The plates were then covered with stainless steel gasket lids from Kalypsys and incubated for 48 hours at 37C under 95% relative humidity with 5% CO2. After 48 hours, the plates were removed and allowed to reach room temperature before 3 uL of Cell Titer Glo reagent (Promega) were added using an Aurora Flying Reagent Dispenser Bioraptor. The plates were then spun at 1000 rpms to remove bubbles and incubated for 15 minutes at room temperature before reading on a ViewLux using a luminescent filter with a 10 second exposure. The relative luciferase units were used to calculated percent activity using DMSO as 100% and Bortezomib as 0%.

Comment: 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	Potency	Efficacy	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.0007802858 uM	Activity at 0.00235 uM	Activity at 0.00706 uM	Activity at 0.021 uM	Activity at 0.063 uM	Activity at 0.190 uM	Activity at 0.569 uM	Activity at 1.715 uM	Activity at 5.147 uM	Activity at 15.26 uM	Activity at 45.80 uM	Compound QC
Activator	9.3495	37.1145	Partial curve; high efficacy; poor fit	-5.0292	4.5045	0.3394	139.866	102.7515	2.3	0 0 0 0 0 0 0 1 0 0 1	88.0524	128.0096	112.7233	88.6255	79.2461	88.4591	116.5125	107.4342	40.612	105.1422	136.3749	88.0524	QC'd by BIOMOL
Activator									5		142.8394	114.1417	111.508	167.841	110.3078	162.3881	116.8787	143.5866	138.3617	142.2804	96.0848	142.8394	QC'd by BIOMOL
Activator	0.0066	105.2593	Complete curve; high efficacy; poor fit	-8.1792	0.7	0.8893	112.3492	217.6086	1.3	0 0 1 0 0 0 0 0 0 0 1	149.7744	206.0416	175.7962	99.9709	145.4635	125.3281	120.2334	135.1946	115.4803	122.2618	90.372	149.7744	QC'd by BIOMOL
Activator									5		29.4231	126.3953	81.165	86.1405	110.3352	124.4199	134.8609	111.8128	89.3843	231.3882	107.4383	29.4231	QC'd by BIOMOL
Activator									5		143.6153	87.7329	109.6233	117.133	130.2435	108.0073	71.945	131.4159	458.2894	127.4181	102.4514	143.6153	QC'd by BIOMOL
Activator	20.931	115.7607	Partial curve; high efficacy; poor fit	-4.6792	4.5045	0.6728	52.682	168.4428	2.3	0 0 0 0 0 0 0 0 1 0 0	57.3383	156.9875	210.0745	196.4426	169.3007	145.4793	168.5143	122.6219	177.1228	240.8839	147.1926	57.3383	QC'd by BIOMOL
Inactive				-4.8792	3.5117	0.7454	3.7363	121.3761	4	1 0 0 0 0 0 0 0 0 0 0	4.9959	69.8483	72.4018	110.8591	122.5541	161.1408	130.7083	144.5237	100.537	122.3534	47.4563	4.9959	QC'd by BIOMOL
Activator	11.7704	120.3803	Partial curve; high efficacy; poor fit	-4.9292	4.9549	0.6857	256.5786	136.1982	2.3	0 0 0 0 0 0 0 0 0 0 1	129.6573	124.8033	153.6337	147.2807	166.633	130.3024	101.8421	144.7083	155.0295	116.7688	231.6699	129.6573	QC'd by BIOMOL
Activator									5		123.0403	128.8699	210.7699	190.2566	146.8479	215.4495	109.2714	124.0291	164.0907	204.8081	137.4596	123.0403	QC'd by BIOMOL
Activator	3.7221	32.6568	Complete curve; high efficacy; poor fit	-5.4292	4.9549	0.4276	89.2254	121.8822	1.3	0 1 0 0 0 0 0 0 0 0 0	100.4672	87.1822	158.1858	123.8552	104.2031	121.5711	143.849	137.3495	134.3819	92.8337	79.7182	100.4672	QC'd by BIOMOL
Activator	1.4818	129.4082	Complete curve; high efficacy; poor fit	-5.8292	0.9	0.78	36.537	165.9452	1.3	0 0 1 0 0 0 0 0 0 0 0	42.5687	179.6537	123.5264	118.8734	141.6283	179.6193	162.4189	95.5446	129.6678	48.1471	54.8755	42.5687	QC'd by BIOMOL
Activator	0.0662	23.8999	Complete curve; high efficacy; poor fit	-7.1792	4.9549	0.3972	157.0608	133.1609	1.3	0 0 0 0 1 0 0 0 0 0 0	156.4182	131.6383	146.4008	133.9209	120.0163	196.9193	161.7274	189.7061	147.8016	155.1127	132.5334	156.4182	QC'd by BIOMOL
Activator	1.6626	39.682	Complete curve; high efficacy; poor fit	-5.7792	4.9549	0.6393	68.8456	108.5275	1.3	0 0 0 0 0 0 0 0 1 0 0	58.2968	104.9015	85.3011	114.5667	123.321	105.3304	99.8094	125.7757	85.4017	139.4605	80.254	58.2968	QC'd by BIOMOL
Activator	7.4266	132.8913	Complete curve; high efficacy; poor fit	-5.1292	1.9673	0.5196	45.9316	178.823	1.3	0 0 0 0 0 0 1 0 0 0 0	46.3684	155.3315	110.8327	150.523	132.3744	223.2312	259.9272	370.7888	225.3172	120.4312	80.8278	46.3684	QC'd by BIOMOL
Activator	26.3506	64.9742	Partial curve; high efficacy; poor fit	-4.5792	4.5045	0.7787	65.5932	130.5675	2.3	0 0 0 0 0 0 0 1 0 0 0	70.9665	137.7579	130.009	140.9582	142.8709	108.0684	128.1229	122.7238	83.1025	134.1418	125.1981	70.9665	QC'd by BIOMOL
Activator	0.0662	42.9607	Complete curve; high efficacy; poor fit	-7.1792	4.9549	0.3774	171.918	128.9573	1.3	0 0 0 0 1 0 0 0 0 0 0	186.2327	131.3763	114.3898	169.2145	100.0259	417.4076	185.7832	137.3011	196.8317	196.7498	128.9228	186.2327	QC'd by BIOMOL
Activator	20.931	357.0759	Partial curve; high efficacy	-4.6792	1.6266	0.9443	496.1622	139.0863	2.1	0 0 0 0 0 0 0 0 0 0 0	450.0879	120.9857	123.3915	150.1624	127.9468	154.6912	129.5912	127.2593	186.5804	191.2598	245.2113	450.0879	QC'd by BIOMOL
Inactive				-5.5292	3.1925	0.6838	22.4254	105.7286	4	0 0 0 0 0 1 0 0 0 0 0	26.5078	99.369	74.6534	92.2028	101.9959	99.5674	165.511	173.0397	87.2348	39.9146	14.0508	26.5078	QC'd by BIOMOL
Activator	4.6859	57.8133	Complete curve; high efficacy; poor fit	-5.3292	4.9549	0.7192	154.7956	96.9823	1.3	0 0 0 1 0 0 0 0 0 0 0	156.3746	97.7645	116.0346	97.6905	140.5417	97.0357	110.7006	102.9928	57.4166	132.01	153.4092	156.3746	QC'd by BIOMOL
Activator	23.485	41.3394	Partial curve; high efficacy; poor fit	-4.6292	1	0.5264	88.6415	129.9809	2.3	0 1 0 0 0 0 0 0 0 0 0	97.9229	133.6208	96.1141	131.6403	139.2531	128.2736	113.9247	123.5101	139.3218	112.8157	122.8129	97.9229	QC'd by BIOMOL

100-33-4 靶点实验数据