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

来源：ChEMBL 靶标：Mycolicibacterium phlei

External ID: CHEMBL955270

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2004
Volume: 67
Issue: 12
First Page: 2108
Last Page: 2110
DOI: 10.1021/np049706n

Target ChEMBL ID: CHEMBL614985
ChEMBL Target Name: Mycolicibacterium phlei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	4	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	2	ug.mL-1

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

来源：ChEMBL 靶标：Mycolicibacterium fortuitum

External ID: CHEMBL955269

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2004
Volume: 67
Issue: 12
First Page: 2108
Last Page: 2110
DOI: 10.1021/np049706n

Target ChEMBL ID: CHEMBL614983
ChEMBL Target Name: Mycolicibacterium fortuitum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.5	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	2	ug.mL-1

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3123765

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2014
Volume: 74
First Page: 664
Last Page: 670
DOI: 10.1016/j.ejmech.2013.09.061

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
Inhibition	=	84.3	%

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

来源：ChEMBL 靶标：Mycolicibacterium smegmatis

External ID: CHEMBL955272

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2004
Volume: 67
Issue: 12
First Page: 2108
Last Page: 2110
DOI: 10.1021/np049706n

Target ChEMBL ID: CHEMBL613088
ChEMBL Target Name: Mycolicibacterium smegmatis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	1	ug.mL-1
MIC	=	0.5	ug.mL-1
MIC	=	0.5	ug.mL-1

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3123766

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2014
Volume: 74
First Page: 664
Last Page: 670
DOI: 10.1016/j.ejmech.2013.09.061

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
Inhibition	=	86.6	%

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：Polyketide synthase Pks13

External ID: CHEMBL4392088

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2019
Volume: 62
Issue: 7
First Page: 3575
Last Page: 3589
DOI: 10.1021/acs.jmedchem.9b00010

Target ChEMBL ID: CHEMBL4105939
ChEMBL Target Name: Polyketide synthase Pks13
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
MIC=<90	=	0.0625	ug ml-1
MIC=<90	=	0.04	ug ml-1
MIC=<90	=	1	ug ml-1
MIC=<90	=	2	ug ml-1
MIC=<90	=	1	ug ml-1
MIC=<90	=	0.125	ug ml-1
MIC=<90	=	1	ug ml-1
MIC=<90	>	64	ug ml-1
MIC=<90	=	0.125	ug ml-1
MIC=<90	>	64	ug ml-1
MIC=<90	=	0.25	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：Mycolicibacterium aurum

External ID: CHEMBL955271

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2004
Volume: 67
Issue: 12
First Page: 2108
Last Page: 2110
DOI: 10.1021/np049706n

Target ChEMBL ID: CHEMBL612952
ChEMBL Target Name: Mycolicibacterium aurum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	2	ug.mL-1
MIC	=	0.5	ug.mL-1
MIC	=	2	ug.mL-1

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

来源：ChEMBL 靶标：Mycolicibacterium smegmatis

External ID: CHEMBL3873197

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2016
Volume: 123
First Page: 684
Last Page: 703
DOI: 10.1016/j.ejmech.2016.07.068

Target ChEMBL ID: CHEMBL613088
ChEMBL Target Name: Mycolicibacterium smegmatis
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	=	113.5	%
Activity	=	123.4	%
Activity	=	114.4	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL1798776

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2011
Volume: 21
Issue: 14
First Page: 4316
Last Page: 4319
DOI: 10.1016/j.bmcl.2011.05.054

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.1	ug.mL-1
MIC	=	50	ug.mL-1
MIC	=	3.13	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：N/A

External ID: CHEMBL646647

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2000
Volume: 43
Issue: 13
First Page: 2575
Last Page: 2585
DOI: 10.1021/jm0000564

Standard Type	Standard Relation	Standard Value
LogD	=	-0.34
LogD	=	1.8
LogD	=	0.4
LogD	=	2.49
LogD	=	1.47
LogD	=	-2.66
LogD	=	-2.04
LogD	=	-1.24
LogD	=	-0.02
LogD	=	-0.08
LogD	=	0.35
LogD	=	-0.19
LogD	=	-0.02
LogD	=	-0.39
LogD	=	0.11
LogD	=	2.05
LogD	=	1.48
LogD	=	1.47
LogD	=	1.92
LogD	=	-1.34

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

来源：ChEMBL 靶标：Mycolicibacterium smegmatis

External ID: CHEMBL3873209

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2016
Volume: 123
First Page: 684
Last Page: 703
DOI: 10.1016/j.ejmech.2016.07.068

Target ChEMBL ID: CHEMBL613088
ChEMBL Target Name: Mycolicibacterium smegmatis
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	=	79.7	%
Activity	=	32.4	%
Activity	=	75.7	%

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

来源：ChEMBL 靶标：Mycolicibacterium smegmatis

External ID: CHEMBL3873203

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2016
Volume: 123
First Page: 684
Last Page: 703
DOI: 10.1016/j.ejmech.2016.07.068

Target ChEMBL ID: CHEMBL613088
ChEMBL Target Name: Mycolicibacterium smegmatis
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	=	13.1	%
Activity	=	95.6	%
Activity	=	75.7	%

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

来源：ChEMBL 靶标：Mycolicibacterium smegmatis

External ID: CHEMBL3873206

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2016
Volume: 123
First Page: 684
Last Page: 703
DOI: 10.1016/j.ejmech.2016.07.068

Target ChEMBL ID: CHEMBL613088
ChEMBL Target Name: Mycolicibacterium smegmatis
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	=	71.3	%
Activity	=	66.5	%
Activity	=	59.9	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL4682571

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 186
First Page: 111882
Last Page: 111882
DOI: 10.1016/j.ejmech.2019.111882

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	6.25	ug.mL-1
MIC	<	3.1	ug.mL-1
MIC	<	3.1	ug.mL-1
MIC	=	100	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：J774

External ID: CHEMBL1047318

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 17
First Page: 4937
Last Page: 4938
DOI: 10.1016/j.bmcl.2009.07.086

Target ChEMBL ID: CHEMBL614123
ChEMBL Target Name: J774
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	=	64	%
Activity	=	70	%
Activity	=	29	%
Activity	=	85	%
Activity	=	82	%
Activity	=	76	%
Activity	=	38	%
Activity	=	98	%
Activity	=	89	%
Activity	=	40	%
Activity	=	42	%
Activity	=	71	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL4002976

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: 2017
Volume: 126
First Page: 369
Last Page: 383
DOI: 10.1016/j.ejmech.2016.11.041

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.125	MIC	=	125	nM
1	MIC	=	1000	nM
1	MIC	=	1000	nM
8	MIC	>	8000	nM
32	MIC	>	32000	nM
0.03	MIC	=	30	nM
0.25	MIC	=	250	nM
0.03	MIC	=	30	nM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3801606

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: 2016
Volume: 59
Issue: 6
First Page: 2362
Last Page: 2380
DOI: 10.1021/acs.jmedchem.5b00608

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.5	MIC>99	=	0.5	uM
0.5	MIC>99	=	0.5	uM
1	MIC>99	=	1	uM
8	MIC>99	>	8	uM
32	MIC>99	>	32	uM
0.25	MIC>99	=	0.25	uM
0.125	MIC>99	=	0.125	uM
0.06	MIC>99	=	0.06	uM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3123524

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2014
Volume: 74
First Page: 664
Last Page: 670
DOI: 10.1016/j.ejmech.2013.09.061

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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	Data Validity Comment
IC90	=	74.96	ug.mL-1	Outside typical range
IC50	=	37.35	ug.mL-1
IC90	=	0.29	ug.mL-1
IC50	=	0.18	ug.mL-1
IC90	=	13.49	ug.mL-1
IC50	=	12.47	ug.mL-1
IC90	=	32.79	ug.mL-1
IC50	<	1.56	ug.mL-1
IC90	=	0.08	ug.mL-1
IC50	=	0.07	ug.mL-1
IC90	=	0.02	ug.mL-1
IC50	=	0.02	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：Mycobacterium tuberculosis

External ID: CHEMBL4682570

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 186
First Page: 111882
Last Page: 111882
DOI: 10.1016/j.ejmech.2019.111882

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	12.5	ug.mL-1
MIC	=	50	ug.mL-1
MIC	=	50	ug.mL-1
MIC	=	100	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：Mycobacterium tuberculosis

External ID: CHEMBL4002975

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: 2017
Volume: 126
First Page: 369
Last Page: 383
DOI: 10.1016/j.ejmech.2016.11.041

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.125	MIC	=	125	nM
0.25	MIC	=	250	nM
0.5	MIC	=	500	nM
8	MIC	>	8000	nM
32	MIC	=	32000	nM
0.03	MIC	=	30	nM
0.25	MIC	=	250	nM
0.03	MIC	=	30	nM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3801605

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: 2016
Volume: 59
Issue: 6
First Page: 2362
Last Page: 2380
DOI: 10.1021/acs.jmedchem.5b00608

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.5	MIC>99	=	0.5	uM
1	MIC>99	=	1	uM
0.5	MIC>99	=	0.5	uM
8	MIC>99	>	8	uM
16	MIC>99	=	16	uM
0.25	MIC>99	=	0.25	uM
0.125	MIC>99	=	0.125	uM
0.06	MIC>99	=	0.06	uM

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

来源：ChEMBL 靶标：J774

External ID: CHEMBL1045576

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 17
First Page: 4937
Last Page: 4938
DOI: 10.1016/j.bmcl.2009.07.086

Target ChEMBL ID: CHEMBL614123
ChEMBL Target Name: J774
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	=	68	%
Activity	=	79	%
Activity	=	35	%
Activity	=	92	%
Activity	=	100	%
Activity	=	98	%
Activity	=	56	%
Activity	=	100	%
Activity	=	100	%
Activity	=	58	%
Activity	=	56	%
Activity	=	100	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3801604

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: 2016
Volume: 59
Issue: 6
First Page: 2362
Last Page: 2380
DOI: 10.1021/acs.jmedchem.5b00608

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
2	MIC>99	=	2	uM
2	MIC>99	=	2	uM
2	MIC>99	=	2	uM
8	MIC>99	>	8	uM
32	MIC>99	>	32	uM
0.25	MIC>99	=	0.25	uM
0.06	MIC>99	=	0.06	uM
0.03	MIC>99	<=	0.03	uM

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

来源：ChEMBL 靶标：J774

External ID: CHEMBL1045577

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 17
First Page: 4937
Last Page: 4938
DOI: 10.1016/j.bmcl.2009.07.086

Target ChEMBL ID: CHEMBL614123
ChEMBL Target Name: J774
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	=	64	%
Activity	=	78	%
Activity	=	23	%
Activity	=	88	%
Activity	=	90	%
Activity	=	92	%
Activity	=	49	%
Activity	=	100	%
Activity	=	94	%
Activity	=	53	%
Activity	=	34	%
Activity	=	100	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL4002977

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: 2017
Volume: 126
First Page: 369
Last Page: 383
DOI: 10.1016/j.ejmech.2016.11.041

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
2	MIC	=	2000	nM
2	MIC	=	2000	nM
2	MIC	=	2000	nM
8	MIC	>	8000	nM
32	MIC	>	32000	nM
0.03	MIC	=	30	nM
0.25	MIC	=	250	nM
0.03	MIC	=	30	nM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3801603

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: 2016
Volume: 59
Issue: 6
First Page: 2362
Last Page: 2380
DOI: 10.1021/acs.jmedchem.5b00608

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.125	MIC>99	=	0.125	uM
1	MIC>99	=	1	uM
0.5	MIC>99	=	0.5	uM
8	MIC>99	>	8	uM
32	MIC>99	>	32	uM
0.25	MIC>99	=	0.25	uM
0.125	MIC>99	=	0.125	uM
0.06	MIC>99	=	0.06	uM

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

来源：ChEMBL 靶标：J774

External ID: CHEMBL1045574

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 17
First Page: 4937
Last Page: 4938
DOI: 10.1016/j.bmcl.2009.07.086

Target ChEMBL ID: CHEMBL614123
ChEMBL Target Name: J774
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	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	93	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL4002972

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: 2017
Volume: 126
First Page: 369
Last Page: 383
DOI: 10.1016/j.ejmech.2016.11.041

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.5	MIC	=	500	nM
0.5	MIC	=	500	nM
1	MIC	=	1000	nM
8	MIC	>	8000	nM
32	MIC	>	32000	nM
0.03	MIC	=	30	nM
0.25	MIC	=	250	nM
0.03	MIC	=	30	nM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3123752

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2014
Volume: 74
First Page: 664
Last Page: 670
DOI: 10.1016/j.ejmech.2013.09.061

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
Inhibition	=	89	%

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

来源：ChEMBL 靶标：J774

External ID: CHEMBL1045575

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 17
First Page: 4937
Last Page: 4938
DOI: 10.1016/j.bmcl.2009.07.086

Target ChEMBL ID: CHEMBL614123
ChEMBL Target Name: J774
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	=	95	%
Activity	=	100	%
Activity	=	100	%
Activity	=	82	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	100	%
Activity	=	94	%
Activity	=	100	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL4002971

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: 2017
Volume: 126
First Page: 369
Last Page: 383
DOI: 10.1016/j.ejmech.2016.11.041

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.5	MIC	=	500	nM
1	MIC	=	1000	nM
0.5	MIC	=	500	nM
8	MIC	>	8000	nM
16	MIC	=	16000	nM
0.03	MIC	=	30	nM
0.25	MIC	=	250	nM
0.03	MIC	=	30	nM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL4002974

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: 2017
Volume: 126
First Page: 369
Last Page: 383
DOI: 10.1016/j.ejmech.2016.11.041

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.125	MIC	=	125	nM
1	MIC	=	1000	nM
0.5	MIC	=	500	nM
8	MIC	>	8000	nM
32	MIC	>	32000	nM
0.03	MIC	=	30	nM
0.25	MIC	=	250	nM
0.03	MIC	=	30	nM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL4002973

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: 2017
Volume: 126
First Page: 369
Last Page: 383
DOI: 10.1016/j.ejmech.2016.11.041

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.25	MIC	=	250	nM
8	MIC	>	8000	nM
32	MIC	>	32000	nM
8	MIC	>	8000	nM
32	MIC	>	32000	nM
0.03	MIC	=	30	nM
0.25	MIC	=	250	nM
0.03	MIC	=	30	nM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3801607

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: 2016
Volume: 59
Issue: 6
First Page: 2362
Last Page: 2380
DOI: 10.1021/acs.jmedchem.5b00608

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.25	MIC>99	=	0.25	uM
8	MIC>99	>	8	uM
32	MIC>99	>	32	uM
8	MIC>99	>	8	uM
32	MIC>99	>	32	uM
0.5	MIC>99	=	0.5	uM
0.125	MIC>99	=	0.125	uM
0.06	MIC>99	=	0.06	uM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3123758

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2014
Volume: 74
First Page: 664
Last Page: 670
DOI: 10.1016/j.ejmech.2013.09.061

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
Inhibition	=	69.1	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3796292

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: 2016
Volume: 26
Issue: 9
First Page: 2188
Last Page: 2193
DOI: 10.1016/j.bmcl.2016.03.066

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.1	IC50	=	100	nM
0.2	IC90	=	200	nM
0.3	MIC	=	300	nM
20.8	IC50	=	20800	nM
33.1	IC90	=	33100	nM
50	MIC	=	50000	nM
1.2	IC50	=	1200	nM
1.8	IC90	=	1800	nM
6.2	MIC	=	6200	nM
5.8	IC50	=	5800	nM
11.5	IC90	=	11500	nM
12.5	MIC	=	12500	nM
0.102	IC50	=	102	nM
0.141	IC90	=	141	nM
0.2	MIC	=	200	nM
0.02	IC50	=	20	nM
0.03	IC90	=	30	nM
0.04	MIC	=	40	nM
5.4	IC50	=	5400	nM
10.7	IC90	=	10700	nM

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

来源：ChEMBL 靶标：Cytochrome P450 2C9

External ID: CHEMBL4478999

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2016
Volume: 26
Issue: 16
First Page: 4003
Last Page: 4006
DOI: 10.1016/j.bmcl.2016.06.088

Target ChEMBL ID: CHEMBL3397
ChEMBL Target Name: Cytochrome P450 2C9
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	0.6
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

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

来源：ChEMBL 靶标：Cytochrome P450 3A4

External ID: CHEMBL4479000

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2016
Volume: 26
Issue: 16
First Page: 4003
Last Page: 4006
DOI: 10.1016/j.bmcl.2016.06.088

Target ChEMBL ID: CHEMBL340
ChEMBL Target Name: Cytochrome P450 3A4
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL4682569

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 186
First Page: 111882
Last Page: 111882
DOI: 10.1016/j.ejmech.2019.111882

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	6.25	ug.mL-1
MIC	<	3.1	ug.mL-1
MIC	<	3.1	ug.mL-1
MIC	=	50	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：Mycobacterium tuberculosis

External ID: CHEMBL3123763

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2014
Volume: 74
First Page: 664
Last Page: 670
DOI: 10.1016/j.ejmech.2013.09.061

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
Inhibition	=	95.6	%
Inhibition	=	97.7	%
Inhibition	=	90	%

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: CHEMBL3855802

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: 2016
Volume: 24
Issue: 21
First Page: 5556
Last Page: 5564
DOI: 10.1016/j.bmc.2016.09.012

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
25	IC50	>	25000	nM
15.1	IC50	=	15100	nM
5.6	IC50	=	5600	nM
6.05	IC50	=	6050	nM

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

来源：ChEMBL 靶标：Mycolicibacterium smegmatis

External ID: CHEMBL3254916

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1978
Volume: 21
Issue: 4
First Page: 403
Last Page: 405
DOI: 10.1021/jm00202a020

Target ChEMBL ID: CHEMBL613088
ChEMBL Target Name: Mycolicibacterium smegmatis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.05	ug.mL-1
MIC	=	0.5	ug.mL-1

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL3855804

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2016
Volume: 24
Issue: 21
First Page: 5556
Last Page: 5564
DOI: 10.1016/j.bmc.2016.09.012

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 Comment
Inhibition				Not Determined
Inhibition	=	12.16	%
Inhibition				Not Determined
Inhibition	=	9.56	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3855799

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: 2016
Volume: 24
Issue: 21
First Page: 5556
Last Page: 5564
DOI: 10.1016/j.bmc.2016.09.012

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
0.23	MIC	=	230	nM
	MIC
20.2	MIC	=	20200	nM
64.85	MIC	=	64850	nM
38.18	MIC	=	38180	nM
15.61	MIC	=	15610	nM
16.13	MIC	=	16130	nM

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3076713

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2013
Volume: 22
Issue: 1
First Page: 367
Last Page: 381
DOI: 10.1007/s00044-012-0041-y

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
GI	=	99	%
GI	=	99	%
GI	=	99	%
GI	=	99	%

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL3871037

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 1
First Page: 11
Last Page: 15
DOI: 10.1016/j.bmcl.2016.11.047

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	3.125	ug.mL-1
MIC	=	0.8	ug.mL-1
MIC	=	3.125	ug.mL-1
MIC	=	1.6	ug.mL-1
MIC	=	12.5	ug.mL-1
MIC	=	6.25	ug.mL-1
MIC	=	25	ug.mL-1
MIC	=	25	ug.mL-1
MIC	=	1.6	ug.mL-1
MIC	>	100	ug.mL-1
MIC	=	6.25	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：Mycobacterium tuberculosis

External ID: CHEMBL3076714

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2013
Volume: 22
Issue: 1
First Page: 367
Last Page: 381
DOI: 10.1007/s00044-012-0041-y

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.2	ug.mL-1
MIC	=	6.25	ug.mL-1
MIC	=	3.12	ug.mL-1
MIC	=	0.25	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：Mycobacterium tuberculosis

External ID: CHEMBL3101513

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2014
Volume: 71
First Page: 160
Last Page: 167
DOI: 10.1016/j.ejmech.2013.10.082

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.1	ug.mL-1
MIC	=	3.13	ug.mL-1
MIC	=	0.2	ug.mL-1

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

来源：ChEMBL 靶标：Cytochrome P450 2D6

External ID: CHEMBL4479083

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2016
Volume: 26
Issue: 16
First Page: 4003
Last Page: 4006
DOI: 10.1016/j.bmcl.2016.06.088

Target ChEMBL ID: CHEMBL289
ChEMBL Target Name: Cytochrome P450 2D6
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	0.6
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	0.6
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

74-55-5 靶点实验数据

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	0.6
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1

Standard Type	Standard Relation	Standard Value
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1
FC	=	1