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: CHEMBL3253411

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1977
Volume: 20
Issue: 4
First Page: 586
Last Page: 588
DOI: 10.1021/jm00214a029

Standard Type	Standard Relation	Standard Value
log1/Ki	=	2
log1/Ki	=	1.89
log1/Ki	=	2.74
log1/Ki	=	2.92
log1/Ki	=	1.94
log1/Ki	=	1.82
log1/Ki	=	2.4
log1/Ki	=	2.12
log1/Ki	=	2.64
log1/Ki	=	2.18
log1/Ki	=	2.35
log1/Ki	=	2.57
log1/Ki	=	2.82
log1/Ki	=	2.89
log1/Ki	=	3
log1/Ki	=	1.92
log1/Ki	=	2
log1/Ki	=	2.08
log1/Ki	=	2.15
log1/Ki	=	2.2

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

来源：ChEMBL 靶标：WI-38

External ID: CHEMBL5255816

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2023
Volume: 86
Issue: 4
First Page: 850
Last Page: 859
DOI: 10.1021/acs.jnatprod.2c01032

Target ChEMBL ID: CHEMBL614391
ChEMBL Target Name: WI-38
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	Activity Comment
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Toxic

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

来源：ChEMBL 靶标：HT-1080

External ID: CHEMBL5255815

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2023
Volume: 86
Issue: 4
First Page: 850
Last Page: 859
DOI: 10.1021/acs.jnatprod.2c01032

Target ChEMBL ID: CHEMBL614580
ChEMBL Target Name: HT-1080
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	Activity Comment
Activity	Not Active
Activity	Not Active

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

来源：ChEMBL 靶标：NIH3T3

External ID: CHEMBL5255818

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2023
Volume: 86
Issue: 4
First Page: 850
Last Page: 859
DOI: 10.1021/acs.jnatprod.2c01032

Target ChEMBL ID: CHEMBL614822
ChEMBL Target Name: NIH3T3
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	Activity Comment
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Toxic

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: CHEMBL5255817

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2023
Volume: 86
Issue: 4
First Page: 850
Last Page: 859
DOI: 10.1021/acs.jnatprod.2c01032

Standard Type	Activity Comment
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Toxic

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

来源：ChEMBL 靶标：Staphylococcus aureus

External ID: CHEMBL4296184

Protocol: N/A

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

Target ChEMBL ID: CHEMBL352
ChEMBL Target Name: Staphylococcus aureus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 24.4 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib -0.9 Pct
5	MIC	=	5000	nM	Median N= 2
	Inhibition	=	7.42	%	Average; N=2
0.0781	MIC	<=	78.1	nM	Median N= 2
	Inhibition	=	5.44	%	Average; N=2
	Inhibition	=	-0.36	%	Average; N=2
	Inhibition	=	-1.51	%	Average; N=2
	Inhibition	=	9.71	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 6.2 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 14.7 Pct
	Inhibition	=	13.34	%	Average; N=2
	Inhibition	=	5.78	%	Average; N=2
	Inhibition	=	15.7	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 11.5 Pct
5	MIC	=	5000	nM	Median N= 2
5	MIC	=	5000	nM	Median N= 2
	Inhibition	=	9.69	%	Average; N=2
2.5	MIC	=	2500	nM	Median N= 2; Range 5 - 2.5 Um
	Inhibition	=	12.6	%	Average; N=2

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

来源：ChEMBL 靶标：HCT-116

External ID: CHEMBL5255812

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2023
Volume: 86
Issue: 4
First Page: 850
Last Page: 859
DOI: 10.1021/acs.jnatprod.2c01032

Target ChEMBL ID: CHEMBL394
ChEMBL Target Name: HCT-116
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	Activity Comment
Activity	Not Active
Activity	Not Active

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

来源：20881 靶标：interleukin-1 receptor-like 1 isoform [homo sapiens]

External ID: ST2_IL33_Inhibitors_Primary_Screening_77700

Protocol: High-throughput screening was performed at Indiana University screening facility (Indiana University, Indianapolis, IN).

In summary, a mixture of ST2 and IL-33 was prepared by adding 0.30 microL of 14.1 microM recombinant human ST2-Fc Chimera and 0.30 microL of 55.25 biotinylated recombinant human IL-33 to 1.4 mL of assay buffer. In the HTS, each well of a 384-well Proxi-plate was first blocked by 100 microL of assay buffer for 1 h at room temperature. After removing the blocking buffer, 20 microL of ST2/IL-33 mixture was pipetted into each well and incubated at room temperature for 1 h followed by addition of compounds at 17 microM (0.8 microL) to each well and incubated at room temperature for 1 h. Ten microliters of 60 microg/mL anti-6xHis-conjugated AlphaLISA acceptor beads were added to each well and incubated at room temperature for 1 h before addition of 10 microL of 60 microg/mL of streptavidin-labeled AlphaLISA donor beads for incubation at room temperature for 30 min. Incubation of acceptor and receptor beads was conducted in darkness. The well with 3 nM ST2 alone was used as a negative control, whereas the ST2/IL-33 mixture with a human ST2 antibody added at 0.45 ng/microL was used as the positive control. Plates were read using the Envision Plate Reader. The buffer used in the assay contains 14.37 mL PBS, 30 microL Tween 20, and 600 microL of 5% bovine serum albumin in PBS.

Comment: PubChem active indicates >= 30% inhibition of ST2/IL-33 at 17 uM of the compound. Inconclusive: >=10% and < 30% inhibition.

% Inhibition
98
97
97
97
97
97
96
96
96
96
95
95
94
94
93
92
92
89
88
85

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

来源：ChEMBL 靶标：Klebsiella pneumoniae

External ID: CHEMBL4296186

Protocol: N/A

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

Target ChEMBL ID: CHEMBL350
ChEMBL Target Name: Klebsiella pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	0.93	%	Average; N=2
Inhibition	=	16.87	%	Average; N=4
Inhibition	=	14.36	%	Average; N=4
Inhibition	=	8.63	%	Average; N=2
Inhibition	=	22.77	%	Average; N=2
MIC	>	32	ug.mL-1	Median N= 2; Maxinhib 12.7 Pct
Inhibition	=	-22.42	%	Average; N=2	Outside typical range
Inhibition	=	0.23	%	Average; N=4
MIC	>	32	ug.mL-1	Median N= 2; Maxinhib 20.1 Pct
Inhibition	=	10.23	%	Average; N=4
Inhibition	=	3.15	%	Average; N=4
Inhibition	=	7.81	%	Average; N=4
Inhibition	=	-10.52	%	Average; N=4	Outside typical range
MIC	>	32	ug.mL-1	Median N= 2; Maxinhib 19.8 Pct
Inhibition	=	7.19	%	Average; N=4
Inhibition	=	6.16	%	Average; N=2
Inhibition	=	11.98	%	Average; N=4
Inhibition	=	3.45	%	Average; N=2
Inhibition	=	3.96	%	Average; N=2
Inhibition	=	4.88	%	Average; N=2

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

来源：ChEMBL 靶标：HepG2

External ID: CHEMBL5255814

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2023
Volume: 86
Issue: 4
First Page: 850
Last Page: 859
DOI: 10.1021/acs.jnatprod.2c01032

Target ChEMBL ID: CHEMBL395
ChEMBL Target Name: HepG2
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	Activity Comment
Activity	Not Active
Activity	Not Active

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

来源：ChEMBL 靶标：Escherichia coli

External ID: CHEMBL4296185

Protocol: N/A

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

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 62.6 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 7.3 Pct
0.625	MIC	=	625	nM	Median N= 2
	Inhibition	=	3.55	%	Average; N=2
10	MIC	=	10000	nM	Median N= 2
	Inhibition	=	-0.79	%	Average; N=2
	Inhibition	=	-2.76	%	Average; N=2
	Inhibition	=	6.59	%	Average; N=2
	Inhibition	=	3.05	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 8.1 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 17.5 Pct
	Inhibition	=	-6.11	%	Average; N=2
	Inhibition	=	3.59	%	Average; N=2
	Inhibition	=	-1.89	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 7.5 Pct
1.25	MIC	=	1250	nM	Median N= 2; Range 2.5 - 1.25 Um
2.5	MIC	=	2500	nM	Median N= 2
	Inhibition	=	2.4	%	Average; N=2
5	MIC	=	5000	nM	Median N= 2; Range 10 - 5 Um
	Inhibition	=	-4.2	%	Average; N=2

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

来源：ChEMBL 靶标：A549

External ID: CHEMBL5255813

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2023
Volume: 86
Issue: 4
First Page: 850
Last Page: 859
DOI: 10.1021/acs.jnatprod.2c01032

Target ChEMBL ID: CHEMBL392
ChEMBL Target Name: A549
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	Activity Comment
Activity	Not Active
Activity	Not Active

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

来源：ChEMBL 靶标：Acinetobacter baumannii

External ID: CHEMBL4296188

Protocol: N/A

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

Target ChEMBL ID: CHEMBL614425
ChEMBL Target Name: Acinetobacter baumannii
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 10.4 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 10.3 Pct
5	MIC	=	5000	nM	Median N= 2
	Inhibition	=	22.02	%	Average; N=2
10	MIC	>	10000	nM	Median N= 2; Maxinhib 7.2 Pct
	Inhibition	=	0.29	%	Average; N=2
	Inhibition	=	13.44	%	Average; N=2
	Inhibition	=	15.75	%	Average; N=2
	Inhibition	=	30.31	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 19.9 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 13.5 Pct
	Inhibition	=	12.68	%	Average; N=2
	Inhibition	=	8.04	%	Average; N=2
	Inhibition	=	21.28	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 17.6 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 10.9 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 24.8 Pct
	Inhibition	=	19.94	%	Average; N=2
10	MIC	>	10000	nM	Median N= 2; Maxinhib 15.2 Pct
	Inhibition	=	19.7	%	Average; N=2

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

来源：ChEMBL 靶标：Pseudomonas aeruginosa

External ID: CHEMBL4296187

Protocol: N/A

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

Target ChEMBL ID: CHEMBL348
ChEMBL Target Name: Pseudomonas aeruginosa
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	10.84	%	Average; N=1
Inhibition	=	14.55	%	Average; N=1
Inhibition	=	-13.46	%	Average; N=1	Outside typical range
Inhibition	=	21.47	%	Average; N=2
Inhibition	=	32.07	%	Average; N=1
Inhibition	=	2.27	%	Average; N=1
Inhibition	=	-21.74	%	Average; N=1	Outside typical range
Inhibition	=	9.41	%	Average; N=1
Inhibition	=	19.34	%	Average; N=1
Inhibition	=	-25.08	%	Average; N=1	Outside typical range
Inhibition	=	9.21	%	Average; N=4
Inhibition	=	15.98	%	Average; N=4
Inhibition	=	8.03	%	Average; N=1
Inhibition	=	-1.26	%	Average; N=1
Inhibition	=	6.81	%	Average; N=1
Inhibition	=	-8.48	%	Average; N=1
Inhibition	=	25.25	%	Average; N=1
Inhibition	=	44.67	%	Average; N=1
Inhibition	=	1.69	%	Average; N=1
Inhibition	=	2.93	%	Average; N=1

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: LDHA

Protocol: The assay was optimized to 1536-well plates. Briefly, 3 muL of human lactate dehydrogenase 5 (#A38558H, Meridian Life Science, Inc., Memphis, TN) in LDH assay buffer (200 mM Tris HCl pH 7.4, 100 microM EDTA and 0.01% Tween-20) was added to a black solid bottom 1536-well assay plate (Greiner Bio-One) using a BioRAPTR FRD dispenser (Beckman Coulter, Brea, CA). A 1536-well pintool dispenser outfitted with 20 nL pins (Wako Automation, San Diego, CA) was used to transfer 23 nL of DMSO-solubilized compound (both library and vehicle controls) to each 1536-well assay plate. Following compound transfer, 1 muL of substrate solution containing NADH and sodium pyruvate (Sigma-Aldrich, St. Louis, MO) in LDH assay buffer was dispensed via BioRAPTR FRD to initiate the reaction. Final concentrations in the 4 microL reaction volume were 2 nM LDHA enzyme, 0.06 mM NADH and 0.2 mM sodium pyruvate. Following a 5 minute incubation period at room temperature, 1 muL of detection reagent (C. kluyveri diaphorase (Sigma-Aldrich) and resazurin sodium salt (Sigma-Aldrich) in LDH assay buffer) was added to a total volume of 5 muL. Final concentrations of detection reagents were 0.133 mg/mL diaphorase and 37 muM resazurin. Plates were immediately transferred to a ViewLux microplate imager (PerkinElmer, Waltham, MA), and any resulting resorufin fluorescence was measured (ex540, em590 nm) at 0 and 20 minutes. Fluorescence was normalized using enzyme-free and DMSO-treated control wells on each plate.

Comment: PubChem score indicates % inhibition at 229 uM or 114 uM of the compound (Max_response). Active compounds with Max_response greater than -100%, PUBCHEM_ACTIVITY_SCORE is 100. Active compounds with Max_response between -80% and -100%, PUBCHEM_ACTIVITY_SCORE is 80. Active compounds with Max_response between -60% and -80%, PUBCHEM_ACTIVITY_SCORE is 60. Active compounds with Max_response between -30% and -60%, PUBCHEM_ACTIVITY_SCORE is 40. Inconclusive Compounds with Max_response between -25% and -30% have PUBCHEM_ACTIVITY_SCORE 20. For all inactive compounds with Max_response greater than -25%, PUBCHEM_ACTIVITY_SCORE is 0

Max_Response	Activity at 2.29 uM	Activity at 11.40 uM	Activity at 57.10 uM	Activity at 114.0 uM	Activity at 229.0 uM	Compound QC
-13.2744		-14.0597	-11.6112	-13.2744		QC'd by CBC
-13.2736	-2.2436	-1.4106	-3.5076	-4.2706	-13.2736	QC'd by ChemBridge
-13.2725	-6.3492	-3.253	-0.0584	-6.7999	-13.2725	QC'd by Enamine
-13.2721	-2.684	-6.1454	-14.2744	-13.2721	-0.8973	QC'd by InterBioScreen
-13.2688		1.9838	0.4889	-13.2688		QC'd by CBC
-13.2682	-4.4846	2.9589	-5.115	-5.7595	-13.2682	QC'd by Sytravon
-13.2658	-0.93	-4.4888	-3.7077	-0.7595	-13.2658	QC'd by Scripps Research Institute Molecular Screening Center-Florida
-13.2621	-10.0397	-8.5786	-8.5671	-13.2621	-10.4851	QC'd by InterBioScreen
-13.2619		-4.902	-18.7355	-13.2619		QC'd by CBC
-13.2616	-5.6993	-9.4488	-8.2485	-1.1117	-13.2616	QC'd by Asinex Ltd.
-13.2589	-2.6923	-5.6679	-1.3754	-4.9233	-13.2589	QC'd by ChemBridge
-13.2586	-7.6996	-6.7417	-9.0608	-13.2586	13.0861	QC'd by Chem Div
-13.258		4.5885	-10.8854	-13.258		QC'd by CBC
-13.2566	-1.7741	-2.7236	-3.5771	-3.8709	-13.2566	QC'd by Chem Div
-13.255	-2.106	1.9951	-5.3796	-7.5294	-13.255	QC'd by Sytravon
-13.2542	-3.8713	-0.3776	-5.8085	-5.7762	-13.2542	QC'd by Sytravon
-13.2537	-9.0401	-8.2673	-9.7055		-13.2537	QC'd by ChemBridge
-13.2524	-8.3625	-5.9151	-4.3599	-2.4204	-13.2524	QC'd by Life Chemicals
-13.2524	-11.5667	-8.9808	-13.1831	-13.2524	-13.0056	QC'd by Enamine
-13.2524		12.6035	6.6367	-13.2524		QC'd by CBC

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

来源：ChEMBL 靶标：Oryctolagus cuniculus

External ID: CHEMBL772131

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1993
Volume: 36
Issue: 20
First Page: 2891
Last Page: 2898
DOI: 10.1021/jm00072a008

Target ChEMBL ID: CHEMBL374
ChEMBL Target Name: Oryctolagus cuniculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Units	Activity Comment
IC50	nM	Not Determined
IC50	nM	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：Cryptococcus neoformans

External ID: CHEMBL4296190

Protocol: N/A

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

Target ChEMBL ID: CHEMBL365
ChEMBL Target Name: Cryptococcus neoformans
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 9.6 Pct
	Inhibition	=	-7.36	%	Average; N=2; Conc=25 Um ;
20	MIC	>	20000	nM	Median N= 2; Maxinhib 17.1 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 6.5 Pct
	Inhibition	=	-5.61	%	Average; N=2
10	MIC	>	10000	nM	Median N= 2; Maxinhib 7.2 Pct
	Inhibition	=	-0.18	%	Average; N=2
	Inhibition	=	-8.54	%	Average; N=2
	Inhibition	=	-5.03	%	Average; N=2
	Inhibition	=	-1.5	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 8.8 Pct
0.1563	MIC	=	156.3	nM	Median N= 2
	Inhibition	=	-9.6	%	Average; N=2; Conc=25 Um ;
	Inhibition	=	-0.09	%	Average; N=2
	Inhibition	=	-3.07	%	Average; N=2
	Inhibition	=	-2.97	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 9.3 Pct
	Inhibition	=	-12.66	%	Average; N=2; Conc=25 Um ;	Outside typical range
10	MIC	>	10000	nM	Median N= 2; Maxinhib 4.5 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 9.3 Pct

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

来源：ChEMBL 靶标：Candida albicans

External ID: CHEMBL4296189

Protocol: N/A

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

Target ChEMBL ID: CHEMBL366
ChEMBL Target Name: Candida albicans
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 3.0 Pct
	Inhibition	=	8.04	%	Average; N=2; Conc=25 Um ;
20	MIC	>	20000	nM	Median N= 2; Maxinhib 7.4 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 4.8 Pct
	Inhibition	=	3.92	%	Average; N=2
10	MIC	>	10000	nM	Median N= 2; Maxinhib 10.4 Pct
	Inhibition	=	-0.23	%	Average; N=2
	Inhibition	=	0.3	%	Average; N=2
	Inhibition	=	-0.48	%	Average; N=2
	Inhibition	=	2.62	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 8.0 Pct
0.0781	MIC	<=	78.1	nM	Median N= 2
	Inhibition	=	-3.39	%	Average; N=2; Conc=25 Um ;
	Inhibition	=	5.22	%	Average; N=2
	Inhibition	=	3.37	%	Average; N=2
	Inhibition	=	4.56	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 3.4 Pct
	Inhibition	=	-0.73	%	Average; N=2; Conc=25 Um ;
10	MIC	>	10000	nM	Median N= 2; Maxinhib 7.9 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 1.4 Pct

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

来源：DTP/NCI 靶标：N/A

External ID: MCF7_OneDose

Protocol: NCI-60 Human Tumor Cell Lines Screen was performed using the standard one-dose NCI protocol, which is described in more detail at https://dtp.cancer.gov/discovery_development/nci-60/default.htm.

Compounds with GIPRCNT values below 10 were considered active. Activity score was based on GIPRCNT using the following formula:
max(-GIPRCNT/2 + 50, 0)
Score is 0 for GIPRCNT values of 100 or above, 50 for GIPRCNT values of 0, and 100 for GIPRCNT values of -100.

Comment: These data are a subset of the data from the NCI human tumor cell line screen. Compounds are identified by the NCI National Service Center (NSC) number, which is contained in the
PUBCHEM_EXT_DATASOURCE_REGID field. In the NCI cell line identification system, MCF7 is panel number 5, cell number 1. PANELCODE or PANELNAME identify the NCI-60 cell panel. PANELNBR does NOT identify the NCI-60 panel.

EXPID is the NCI internal tracking number for the experiment identifier, and PREFIX = 'S' for the NSCs submitted through the NCI Chemical Agents repository.

Substance concentration unit is indicated in the data table, using the following abbreviations: M = molar (M), u = micrograms/milliliter (microg/mL), V = volumetric fraction.

M_GIPRCNT represents the mean growth percent for that experiment, and N_GIPRCNT indicates the number of values for that NSC within an experiment, while STDEV_GIPRCNT is the standard deviation. Most NSCs are tested once per experiment, resulting in EXP_COUNT = 1.

EXPID	PREFIX	CONCENTRATION_UNIT	CONCENTRATION	PANELNBR	CELLNBR	PANELNAME	CELLNAME	PANELCODE	M_GIPRCNT	N_GIPRCNT	EXP_COUNT
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	88.231	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	87.1119	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	14.4371	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	89.7113	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	97.2463	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	90.0129	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	85.7031	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	30.8539	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	14.2896	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	85.8526	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	83.1036	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	84.2194	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	89.3237	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	85.6034	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	89.6643	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	91.2503	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	94.8714	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	93.7372	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	112.6132	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	73.375	1	1

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

来源：ChEMBL 靶标：Melatonin receptor type 1B

External ID: CHEMBL710994

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1993
Volume: 36
Issue: 20
First Page: 2891
Last Page: 2898
DOI: 10.1021/jm00072a008

Target ChEMBL ID: CHEMBL2095154
ChEMBL Target Name: Melatonin receptor
ChEMBL Target Type: PROTEIN FAMILY - Target is a group of closely related proteins
Relationship Type: H - Homologous protein target assigned
Confidence: Multiple homologous protein targets may be assigned

Standard Type	Standard Units	Activity Comment
Ki	nM	Not Active
Ki	nM	Not Active

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

来源：DTP/NCI 靶标：N/A

External ID: IGROV1_OneDose

Protocol: NCI-60 Human Tumor Cell Lines Screen was performed using the standard one-dose NCI protocol, which is described in more detail at https://dtp.cancer.gov/discovery_development/nci-60/default.htm.

Compounds with GIPRCNT values below 10 were considered active. Activity score was based on GIPRCNT using the following formula:
max(-GIPRCNT/2 + 50, 0)
Score is 0 for GIPRCNT values of 100 or above, 50 for GIPRCNT values of 0, and 100 for GIPRCNT values of -100.

Comment: These data are a subset of the data from the NCI human tumor cell line screen. Compounds are identified by the NCI National Service Center (NSC) number, which is contained in the
PUBCHEM_EXT_DATASOURCE_REGID field. In the NCI cell line identification system, IGROV1 is panel number 6, cell number 10. PANELCODE or PANELNAME identify the NCI-60 cell panel. PANELNBR does NOT identify the NCI-60 panel.

EXPID is the NCI internal tracking number for the experiment identifier, and PREFIX = 'S' for the NSCs submitted through the NCI Chemical Agents repository.

Substance concentration unit is indicated in the data table, using the following abbreviations: M = molar (M), u = micrograms/milliliter (microg/mL), V = volumetric fraction.

M_GIPRCNT represents the mean growth percent for that experiment, and N_GIPRCNT indicates the number of values for that NSC within an experiment, while STDEV_GIPRCNT is the standard deviation. Most NSCs are tested once per experiment, resulting in EXP_COUNT = 1.

EXPID	PREFIX	CONCENTRATION_UNIT	CONCENTRATION	PANELNBR	CELLNBR	PANELNAME	CELLNAME	PANELCODE	M_GIPRCNT	N_GIPRCNT	EXP_COUNT
0809OS51	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	89.6274	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	94.0185	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	77.1805	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	76.1686	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	82.5618	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	88.7561	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	83.5845	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	92.7497	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	70.9555	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	58.7306	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	72.6041	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	90.3839	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	110.2345	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	97.6538	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	93.7697	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	56.4618	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	80.8893	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	79.078	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	-20.3008	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	72.0949	1	1

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

来源：NCGC 靶标：

External ID: stopgo-p2-SytraCBC-dual-FF

Protocol: Reagents:
StopGo2A HEK-NPG-Luc cells and other necessary media and controls were provided by Dr. Atkins's lab. Compound PTC124 was used as a control. Dose response was assessed using a 1:2 dilution of control compound, with the top dose of 50uM final concentration. Background signal was normalized to wells treated with DMSO only.

Assay Protocol:
In brief, four microliters (2400 cells/well) of StopGo2A HEK-NPG-Luc cells were plated and incubated overnight at 37C. Twenty-three nanoliters of compounds and control were added to the wells using a 1536 array Kalypsys pintool workstation. After an over night incubation (at 37C) with compounds / control, 2.5 uL of Dual/Glo Firefly reagent was added. Firefly luciferase signal was obtained using the PerkinElmer ViewLux plate reader after 20min of room temperature incubation. Dual/Glo Renilla Lucifrase reagents were then added followed by additional 20 min room temperature incubation. Finally, the renilla luciferase signal was obtained using the PerkinElmer ViewLux reader.

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

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 0.112 uM	Activity at 0.984 uM	Activity at 11.50 uM	Activity at 57.50 uM	Compound QC
Inactive				-6.8	4.9549	0.8159	2	-8.876	4	0 0 0 0	-0.3922	-6.98	4.9207	1.8774	-0.3922	QC'd by CBC
Inactive				-6	4.9549	0.9989	3	-8.4743	4	0 0 0 1	-8.9436	-8.7286	-0.7486	3.1076	-8.9436	QC'd by CBC
Inactive				-5.45	1.7529	0.9999	31.5	-1.4018	4	0 0 0 1	0	-1.1682	2.486	27.8307	0	QC'd by CBC
Inactive				-6	0.6	0.9574	-3.5578	18	4	0 0 0 0	-2.9648	13.9674	5.3752	2.1822	-2.9648	QC'd by CBC
Activator	0.8913	55.3545	Complete curve; partial efficacy; poor fit	-6.05	4.9549	0.9968	47.9876	-7.3669	1.4	0 0 0 0	45.9161	-7.5163	36.2451	49.4307	45.9161	QC'd by CBC
Inactive									4		-0.4061	3.1581	7.1489	1.8466	-0.4061	QC'd by CBC
Inactive									4		8.0219	9.7586	2.6391	4.515	8.0219	QC'd by CBC
Inactive				-4.7	2.9023	0.9336	14	-3.7678	4	0 0 0 0	13.2222	-6.4732	-1.1472	-0.6942	13.2222	QC'd by CBC
Inactive				-6.75	4.9549	0.6234	5.5	-2.8563	4	0 0 0 1	-0.8656	-1.9636	9.114	2.2001	-0.8656	QC'd by CBC
Activator	3.1623	120.5805	Partial curve; high efficacy; poor fit	-5.5	2.5884	1	125.8416	5.2611	2.3	0 0 0 1	-13.8758	5.0261	13.541	121.9395	-13.8758	QC'd by CBC
Inactive				-5.05	4.095	0.995	39.9163	10.5	4	0 0 0 0	39.907	11.8101	9.2103	32.1484	39.907	QC'd by CBC
Inactive				-6.75	4.9549	0.6885	5.5	-14.2723	4	0 0 0 0	-1.4364	-12.3103	13.1505	4.6329	-1.4364	QC'd by CBC
Inactive				-6.8	4.9549	0.4877	7	-4.299	4	0 0 0 0	12.0135	-2.3325	8.0236	0.5611	12.0135	QC'd by CBC
Activator	14.1254	56.9966	Partial curve; partial efficacy; poor fit	-4.85	1.5579	0.9975	55.2294	-1.7671	2.4	0 0 0 0	49.6994	-2.5363	1.1452	21.5084	49.6994	QC'd by CBC
Inactive				-6.7	4.9549	0.6978	8.5	-0.5	4	0 0 0 1	0.9512	0.1013	11.4064	5.1489	0.9512	QC'd by CBC
Inactive				-6.8	4.9549	0.671	13	-7.7542	4	0 0 0 1	0	-4.3785	20.2445	6.0485	0	QC'd by CBC
Inactive									4		-3.0754	-7.5861	-4.61	-0.5732	-3.0754	QC'd by CBC
Inactive				-4.95	0.7	0.969	-2	20.5	4	0 0 0 0	2.437	20.2378	15.4328	10.7009	2.437	QC'd by CBC
Inactive				-6.8	4.5045	0.7622	-2	-15.313	4	0 0 0 0	-4.8971	-12.7608	2.2051	-3.2116	-4.8971	QC'd by CBC
Inactive				-6.05	4.5045	0.9997	13	-6.5465	4	0 0 0 1	0	-6.2888	8.2825	12.9406	0	QC'd by CBC

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: stopgo-p2-SytraCBC-dual-Ren

Protocol: Reagents:
StopGo2A HEK-NPG-Luc cells and other necessary media and controls were provided by Dr. Atkins's lab. Compound PTC124 was used as a control. Dose response was assessed using a 1:2 dilution of control compound, with the top dose of 50uM final concentration. Background signal was normalized to wells treated with DMSO only.

Assay Protocol:
In brief, four microliters (2400 cells/well) of StopGo2A HEK-NPG-Luc cells were plated and incubated overnight at 37C. Twenty-three nanoliters of compounds and control were added to the wells using a 1536 array Kalypsys pintool workstation. After an overnight incubation (at 37C) with compounds / control, 2.5 uL of Dual/Glo Firefly reagent was added. Firefly luciferase signal was obtained using the PerkinElmer ViewLux plate reader after 20min of room temperature incubation. Dual/Glo Renilla Lucifrase reagents were then added followed by additional 20 min room temperature incubation. Finally, the renilla luciferase signal was obtained using the PerkinElmer ViewLux reader.

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

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 0.115 uM	Activity at 1.057 uM	Activity at 11.50 uM	Activity at 57.50 uM	Compound QC
Activator	15.8489	72.7667	Partial curve; partial efficacy; poor fit	-4.8	1	0.9956	71.5604	-1.2063	2.4	0 0 0 0	56.9219	-2.7032	5.7184	29.0721	56.9219	QC'd by CBC
Inactive				-5.65	2.7202	0.876	-3.076	-11.1378	4	0 0 0 0	-4.8556	-10.9482	-10.07	-0.8967	-4.8556	QC'd by CBC
Activator	14.1254	116.3598	Partial curve; high efficacy; poor fit	-4.85	2.2526	0.9976	114.9836	-1.3761	2.3	0 0 0 0	110.7742	-4.0165	2.5263	42.9951	110.7742	QC'd by CBC
Inactive				-4.35	4.9549	0.6203	9	-2.1257	4	0 0 0 0	6.649	-3.8222	2.8199	-4.6881	6.649	QC'd by CBC
Activator	22.3872	69.8021	Partial curve; partial efficacy	-4.65	1.7529	0.999	66.6142	-3.1879	2.2	0 0 0 0	55.5041	-3.9302	-1.5453	13.5134	55.5041	QC'd by CBC
Inactive									4		-10.8628	-6.0946	-6.3923	-2.7723	-10.8628	QC'd by CBC
Activator	3.1623	46.5616	Complete curve; partial efficacy	-5.5	1	1	40.0835	-6.4781	1.2	0 0 0 0	37.587	-4.7841	6.0554	30.2065	37.587	QC'd by CBC
Inactive									4		-5.1322	-4.7917	-1.3649	-10.6528	-5.1322	QC'd by CBC
Inactive				-4.4	4.4495	0.7339	13	0.9992	4	0 0 0 0	11.2209	-2.5007	5.0259	0.3015	11.2209	QC'd by CBC
Inactive									4		11.7523	6.5427	3.7075	3.7602	11.7523	QC'd by CBC
Inactive									4		-13.953	-10.1902	-10	-18.4577	-13.953	QC'd by CBC
Inactive									4		-4.5083	-2.0629	5.4547	-1.4612	-4.5083	QC'd by CBC
Inactive									4		-7.5306	-15.4441	-6.4413	-15.0974	-7.5306	QC'd by CBC
Inactive				-4.65	2.2526	0.9477	-26.3385	-15.8934	4	0 0 0 0	-25.2821	-17.3753	-14.9112	-17.8522	-25.2821	QC'd by CBC
Inactive									4		-12.6647	-11.4457	-10.7961	-20.5075	-12.6647	QC'd by CBC
Inactive				-5.1	4.9549	0.594	-16.1597	-5.6067	4	0 0 0 1	-3.9011	-10.3012	-3.0056	-14.7164	-3.9011	QC'd by CBC
Inactive				-5.15	4.9549	0.9234	-15.5602	-3.9488	4	0 0 0 1	-5.8836	-5.9172	-2.4573	-14.6335	-5.8836	QC'd by CBC
Inactive				-4.35	4.4495	0.7251	-13.3612	-2	4	0 0 0 0	-10.7177	-1.1966	-5.5978	0.8791	-10.7177	QC'd by CBC
Inactive				-5.7	4.5045	0.8075	1.0108	10.5	4	0 0 0 0	4.4351	10.6905	9.7726	-1.6577	4.4351	QC'd by CBC
Activator	35.4813	30.7807	Partial curve; partial efficacy; poor fit	-4.45	1.4781	0.9703	47.2807	16.5	2.4	0 0 0 0	37.2969	14.4206	18.8162	21.2663	37.2969	QC'd by CBC

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: CHEMBL5515806

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2024
Volume: 67
Issue: 10
First Page: 7668
Last Page: 7758
DOI: 10.1021/acs.jmedchem.3c01825

Standard Type	Standard Relation	Standard Value	Standard Units
T1/2	=	0.7333	hr
T1/2	=	2.817	hr
T1/2	<	1.667	hr
T1/2	<	1.667	hr
T1/2	=	0.3333	hr
T1/2	=	1.833	hr
T1/2	=	2.967	hr
T1/2	=	33.48	hr
T1/2	=	87.8	hr
T1/2	=	2.033	hr
T1/2	=	13.42	hr
T1/2	=	0.2333	hr

877-95-2 靶点实验数据