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

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 3D

External ID: CHEMBL875083

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: 2001
Volume: 11
Issue: 12
First Page: 1599
Last Page: 1603
DOI: 10.1016/s0960-894x(01)00291-8

Target ChEMBL ID: CHEMBL2094132
ChEMBL Target Name: Serotonin 3 (5-HT3) receptor
ChEMBL Target Type: PROTEIN COMPLEX GROUP - Target is a poorly defined protein complex, where subunit composition is unclear (e.g., GABA-A receptor)
Relationship Type: H - Homologous protein target assigned
Confidence: Multiple homologous protein targets may be assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
2.34	Ki	=	2340	nM
0.0027	Ki	=	2.7	nM
0.018	Ki	=	18	nM
1.2	Ki	=	1200	nM
0.442	Ki	=	442	nM
0.45	Ki	=	450	nM
0.23	Ki	=	230	nM
2.44	Ki	=	2440	nM
6.52	Ki	=	6520	nM
0.012	Ki	=	12	nM
0.89	Ki	=	890	nM
0.062	Ki	=	62	nM
10	Ki	>	10000	nM
6.2	Ki	=	6200	nM
1.6	Ki	=	1600	nM
0.274	Ki	=	274	nM
2.71	Ki	=	2710	nM
0.99	Ki	=	990	nM
0.036	Ki	=	36	nM
0.0031	Ki	=	3.1	nM

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

来源：ChEMBL 靶标：Serine protease 1

External ID: CHEMBL815775

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 11
First Page: 2956
Last Page: 2961
DOI: 10.1021/jm00173a008

Target ChEMBL ID: CHEMBL3769
ChEMBL Target Name: Trypsin I
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
317.687	Ki	=	317687.41	nM	Outside typical range
63.0957	Ki	=	63095.73	nM
10690.5	Ki	=	1.069054879E7	nM	Outside typical range
5888.44	Ki	=	5888436.55	nM	Outside typical range
119.95	Ki	=	119949.93	nM	Outside typical range
897.429	Ki	=	897428.79	nM	Outside typical range
5767.66	Ki	=	5767664.63	nM	Outside typical range
352.371	Ki	=	352370.87	nM	Outside typical range
133.045	Ki	=	133045.44	nM	Outside typical range
2779.71	Ki	=	2779713.27	nM	Outside typical range
881.049	Ki	=	881048.87	nM	Outside typical range
651.628	Ki	=	651628.39	nM	Outside typical range
807.235	Ki	=	807235.03	nM	Outside typical range
4920.4	Ki	=	4920395.36	nM	Outside typical range
1180.32	Ki	=	1180320.64	nM	Outside typical range
3548.13	Ki	=	3548133.89	nM	Outside typical range

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

来源：ChEMBL 靶标：5-hydroxytryptamine receptor 3D

External ID: CHEMBL618129

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: 1996
Volume: 39
Issue: 20
First Page: 4017
Last Page: 4026
DOI: 10.1021/jm9603936

Target ChEMBL ID: CHEMBL2094132
ChEMBL Target Name: Serotonin 3 (5-HT3) receptor
ChEMBL Target Type: PROTEIN COMPLEX GROUP - Target is a poorly defined protein complex, where subunit composition is unclear (e.g., GABA-A receptor)
Relationship Type: H - Homologous protein target assigned
Confidence: Multiple homologous protein targets may be assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
2.34	Ki	=	2340	nM
0.017	Ki	=	17	nM
1.2	Ki	=	1200	nM
0.002	Ki	=	2	nM
0.175	Ki	=	175	nM
0.032	Ki	=	32	nM
10	Ki	>	10000	nM
0.003	Ki	=	3	nM
1.2	Ki	=	1200	nM
5.7	Ki	=	5700	nM
0.04	Ki	=	40	nM
6.52	Ki	=	6520	nM
10	Ki	>	10000	nM
0.062	Ki	=	62	nM
0.78	Ki	=	780	nM
1.6	Ki	=	1600	nM
0.225	Ki	=	225	nM
0.32	Ki	=	320	nM
0.19	Ki	=	190	nM
0.2	Ki	=	200	nM

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

来源：NIAID 靶标：N/A

External ID: HIV Enzyme Data

Protocol: N/A

Comment: N/A

Species	Strain	IsPseudotypeVirus	AssayMeth	Target	IC50Mod	IC50	IC50Unit	Ki	KiUnit	Reference	Citation
			3' PROCESSING	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
			3' PROCESSING	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
			3' PROCESSING	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
			STRAND TRANSFER	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
	HIV-1		dTTP incorporation assay by liquid scintillation	Reverse transcriptase				6.2	uM	19442130	CHARACTERIZATION OF HIV-1 ENZYME REVERSE TRANSCRIPTASE INHIBITION BY THE COMPOUND 6-CHLORO-1,4-DIHYDRO-4-OXO-1-(BETA-D-RIBOFURANOSYL) QUINOLINE-3-CARBOXYLIC ACID THROUGH KINETIC AND IN SILICO STUDIES. Current HIV Research 2009, 7(3), 327-335.
	HIV-1		dTTP incorporation assay by liquid scintillation	Reverse transcriptase				5.3	uM	19442130	CHARACTERIZATION OF HIV-1 ENZYME REVERSE TRANSCRIPTASE INHIBITION BY THE COMPOUND 6-CHLORO-1,4-DIHYDRO-4-OXO-1-(BETA-D-RIBOFURANOSYL) QUINOLINE-3-CARBOXYLIC ACID THROUGH KINETIC AND IN SILICO STUDIES. Current HIV Research 2009, 7(3), 327-335.
	HIV-1		dTTP incorporation assay by liquid scintillation	Reverse transcriptase				5	uM	19442130	CHARACTERIZATION OF HIV-1 ENZYME REVERSE TRANSCRIPTASE INHIBITION BY THE COMPOUND 6-CHLORO-1,4-DIHYDRO-4-OXO-1-(BETA-D-RIBOFURANOSYL) QUINOLINE-3-CARBOXYLIC ACID THROUGH KINETIC AND IN SILICO STUDIES. Current HIV Research 2009, 7(3), 327-335.
HIV-1		N	standard reverse transcriptase assay	Reverse transcriptase		50	ug/mL				SYNTHESIS AND HIV-1 REVERSE TRANSCRIPTASE INHIBITION ACTIVITY OF 1,4-NAPHTHOQUINONE DERIVATIVES. Chemistry of Natural Compounds 2012, 47(6), 883-887.
			STRAND TRANSFER	Integrase	>	100	uM			18805696	DISCOVERY OF 3-ACETYL-4-HYDROXY-2-PYRANONE DERIVATIVES AND THEIR DIFLUORIDOBORATE COMPLEXES AS A NOVEL CLASS OF HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry 2008, 16(19), 8988-98.
			STRAND TRANSFER	Integrase	>	100	uM			18805696	DISCOVERY OF 3-ACETYL-4-HYDROXY-2-PYRANONE DERIVATIVES AND THEIR DIFLUORIDOBORATE COMPLEXES AS A NOVEL CLASS OF HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry 2008, 16(19), 8988-98.
			3'-PROCESSING	Integrase	>	100	uM			18805696	DISCOVERY OF 3-ACETYL-4-HYDROXY-2-PYRANONE DERIVATIVES AND THEIR DIFLUORIDOBORATE COMPLEXES AS A NOVEL CLASS OF HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry 2008, 16(19), 8988-98.
	HIV-1		STRAND TRANSFER	Integrase		0.015	uM			19523819	N-(4-FLUOROBENZYL)-3-HYDROXY-9;9-DIMETHYL-4-OXO-6;7;8;9-TETRAHYDRO-4H-PYRAZINO[1;2-A]PYRIMIDINE-2-CARBOXAMIDES A NOVEL CLASS OF POTENT HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2009, 19, 4245-9.
	HIV-1		HPLC	Protease		5.8	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ASSAY	Reverse transcriptase		170.3	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		HPLC	Protease		10.2	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ASSAY	Reverse transcriptase		33.7	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		HPLC	Protease		24.9	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		3'-processing	Integrase	>	100	uM				COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS. . Patent 2009, , .
	HIV-1		Strand Transfer	Integrase	>	100	uM				COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS. . Patent 2009, , .
	HIV-1		3'-processing	Integrase	>	100	uM				COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS. . Patent 2009, , .

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: CHEMBL634291

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2001
Volume: 11
Issue: 24
First Page: 3151
Last Page: 3155
DOI: 10.1016/s0960-894x(01)00644-8

Standard Type	Standard Relation	Standard Value
pKa	=	10.77
pKa	=	12.6
pKa	=	6.98

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

来源：ChEMBL 靶标：Tissue-type plasminogen activator

External ID: CHEMBL3743977

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2015
Volume: 58
Issue: 23
First Page: 9238
Last Page: 9257
DOI: 10.1021/acs.jmedchem.5b01171

Target ChEMBL ID: CHEMBL1873
ChEMBL Target Name: Tissue-type plasminogen activator
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
Inhibition	=	0	%
Inhibition	=	1	%

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

来源：ChEMBL 靶标：Prothrombin

External ID: CHEMBL3743976

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2015
Volume: 58
Issue: 23
First Page: 9238
Last Page: 9257
DOI: 10.1021/acs.jmedchem.5b01171

Target ChEMBL ID: CHEMBL204
ChEMBL Target Name: Thrombin
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
Inhibition	=	0	%
Inhibition	=	5.2	%

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

来源：ChEMBL 靶标：Coagulation factor VII

External ID: CHEMBL3743975

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2015
Volume: 58
Issue: 23
First Page: 9238
Last Page: 9257
DOI: 10.1021/acs.jmedchem.5b01171

Target ChEMBL ID: CHEMBL3991
ChEMBL Target Name: Coagulation factor VII
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
Inhibition	=	0	%
Inhibition	=	7.4	%
Inhibition	=	0	%

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

来源：BindingDB 靶标：N/A

External ID: BindingDB_5753_1

Protocol: N/A

Comment: Compounds with any of Ki, IC50, Kd, or EC50 activity value <= 10uM are labeled as "Active".
If multiple measurements are available for a given compound, it is labeled as "Active" if any of the measurements meet the criterion. Activity values are checked in the order of Ki, IC50, Kd, and EC50. The first entry that meets the above activity threshold is used to determine "Standard Type", "Standard Relation", and "PubChem Standard Value". Otherwise, the first non-empty entry will be used to set those values.

Standard Type	PubChem Standard Value	Ki	Target Accession(s)	Ligand	Target
Ki	548	548000	P09871	BDBM93095	Complement C1s subcomponent
Ki	2970	2970000	P09871	BDBM93096	Complement C1s subcomponent
Ki	4370	4370000	P09871	BDBM93097	Complement C1s subcomponent
Ki	92500	92500000	P09871	BDBM93099	Complement C1s subcomponent
Ki	1120	1120000	P09871	BDBM93101	Complement C1s subcomponent

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: CHEMBL3744180

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2015
Volume: 58
Issue: 23
First Page: 9238
Last Page: 9257
DOI: 10.1021/acs.jmedchem.5b01171

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	38.8	%

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

来源：ChEMBL 靶标：Plasma kallikrein

External ID: CHEMBL3744179

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2015
Volume: 58
Issue: 23
First Page: 9238
Last Page: 9257
DOI: 10.1021/acs.jmedchem.5b01171

Target ChEMBL ID: CHEMBL2000
ChEMBL Target Name: Plasma kallikrein
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
Inhibition	=	0	%
Inhibition	=	0	%

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

来源：ChEMBL 靶标：Plasminogen

External ID: CHEMBL3744178

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2015
Volume: 58
Issue: 23
First Page: 9238
Last Page: 9257
DOI: 10.1021/acs.jmedchem.5b01171

Target ChEMBL ID: CHEMBL1801
ChEMBL Target Name: Plasminogen
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
Inhibition	=	0	%
Inhibition	=	0	%

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

来源：ChEMBL 靶标：Coagulation factor X

External ID: CHEMBL3744177

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2015
Volume: 58
Issue: 23
First Page: 9238
Last Page: 9257
DOI: 10.1021/acs.jmedchem.5b01171

Target ChEMBL ID: CHEMBL244
ChEMBL Target Name: Coagulation factor X
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
Inhibition	=	0	%
Inhibition	=	3.5	%

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

来源：ChEMBL 靶标：Prothrombin

External ID: CHEMBL816464

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 11
First Page: 2956
Last Page: 2961
DOI: 10.1021/jm00173a008

Target ChEMBL ID: CHEMBL204
ChEMBL Target Name: Thrombin
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	<	10	%
Inhibition	=	0.766	%
Inhibition	<	10	%
Inhibition	<	10	%

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

来源：ChEMBL 靶标：Membrane primary amine oxidase

External ID: CHEMBL2393976

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: 2013
Volume: 21
Issue: 13
First Page: 3873
Last Page: 3881
DOI: 10.1016/j.bmc.2013.04.011

Target ChEMBL ID: CHEMBL3437
ChEMBL Target Name: Amine oxidase, copper containing
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
74	IC50	=	74000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
13	IC50	=	13000	nM
32	IC50	=	32000	nM
2.2	IC50	=	2200	nM

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

来源：ChEMBL 靶标：Membrane primary amine oxidase

External ID: CHEMBL2393850

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: 2013
Volume: 21
Issue: 13
First Page: 3873
Last Page: 3881
DOI: 10.1016/j.bmc.2013.04.011

Target ChEMBL ID: CHEMBL4592
ChEMBL Target Name: Amine oxidase, copper containing
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
80	IC50	=	80000	nM
63	IC50	=	63000	nM
4.8	IC50	=	4800	nM
9.3	IC50	=	9300	nM
1	IC50	=	1000	nM
0.15	IC50	=	150	nM
0.42	IC50	=	420	nM
0.018	IC50	=	18	nM

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

来源：ChEMBL 靶标：Urokinase-type plasminogen activator

External ID: CHEMBL816645

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: 1990
Volume: 33
Issue: 11
First Page: 2956
Last Page: 2961
DOI: 10.1021/jm00173a008

Target ChEMBL ID: CHEMBL3286
ChEMBL Target Name: Urokinase-type plasminogen activator
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
15.6	Ki	=	15600	nM
6.49	Ki	=	6490	nM
419	Ki	=	419000	nM	Outside typical range
676	Ki	=	676000	nM	Outside typical range
6.07	Ki	=	6070	nM
103	Ki	=	103000	nM	Outside typical range
90.7	Ki	=	90700	nM
20.6	Ki	=	20600	nM
54.3	Ki	=	54300	nM
30.7	Ki	=	30700	nM
136	Ki	=	136000	nM	Outside typical range
1450	Ki	=	1450000	nM	Outside typical range
72.4	Ki	=	72400	nM
1330	Ki	=	1330000	nM	Outside typical range
388	Ki	=	388000	nM	Outside typical range
259	Ki	=	259000	nM	Outside typical range

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: CHEMBL4046330

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 18
First Page: 4440
Last Page: 4445
DOI: 10.1016/j.bmcl.2017.08.008

Standard Type	Standard Relation	Standard Value
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5

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

来源：ChEMBL 靶标：Solute carrier family 22 member 3

External ID: CHEMBL4046327

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: 18
First Page: 4440
Last Page: 4445
DOI: 10.1016/j.bmcl.2017.08.008

Target ChEMBL ID: CHEMBL2073673
ChEMBL Target Name: Solute carrier family 22 member 3
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
2.8	IC50	=	2800	nM
452.5	IC50	=	452500	nM	Outside typical range
4.8	IC50	=	4800	nM
27.8	IC50	=	27800	nM
2.2	IC50	=	2200	nM
1.5	IC50	=	1500	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: CHEMBL4046328

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 18
First Page: 4440
Last Page: 4445
DOI: 10.1016/j.bmcl.2017.08.008

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	8
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	=	6
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5
Ratio IC50	<	5

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

来源：ChEMBL 靶标：Urokinase-type plasminogen activator

External ID: CHEMBL814351

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: 1990
Volume: 33
Issue: 11
First Page: 2956
Last Page: 2961
DOI: 10.1021/jm00173a008

Target ChEMBL ID: CHEMBL3286
ChEMBL Target Name: Urokinase-type plasminogen activator
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
15.5955	Ki	=	15595.53	nM
6.48634	Ki	=	6486.34	nM
418.794	Ki	=	418793.57	nM	Outside typical range
676.083	Ki	=	676082.98	nM	Outside typical range
6.06736	Ki	=	6067.36	nM
103.039	Ki	=	103038.61	nM	Outside typical range
90.782	Ki	=	90782.05	nM
20.6063	Ki	=	20606.3	nM
54.325	Ki	=	54325.03	nM
30.6902	Ki	=	30690.22	nM
136.144	Ki	=	136144.47	nM	Outside typical range
1448.77	Ki	=	1448771.85	nM	Outside typical range
38.9045	Ki	=	38904.51	nM
1318.26	Ki	=	1318256.74	nM	Outside typical range
388.15	Ki	=	388150.37	nM	Outside typical range
258.821	Ki	=	258821.29	nM	Outside typical range

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: CHEMBL4259218

Protocol: N/A

Comment: Journal: MedChemComm
Year: 2018
Volume: 9
Issue: 4
First Page: 735
Last Page: 743
DOI: 10.1039/C8MD00089A

Standard Type	Standard Relation	Standard Value
pKa	=	10.9

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL1047148

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: 2009
Volume: 19
Issue: 17
First Page: 5218
Last Page: 5221
DOI: 10.1016/j.bmcl.2009.07.012

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.198	Ki	=	198	nM
0.442	Ki	=	442	nM
0.475	Ki	=	475	nM

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

来源：ChEMBL 靶标：Serine protease 1

External ID: CHEMBL815752

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 11
First Page: 2956
Last Page: 2961
DOI: 10.1021/jm00173a008

Target ChEMBL ID: CHEMBL3769
ChEMBL Target Name: Trypsin I
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
318	Ki	=	318000	nM	Outside typical range
63.1	Ki	=	63100	nM
10700	Ki	=	10700000	nM	Outside typical range
5890	Ki	=	5890000	nM	Outside typical range
120	Ki	=	120000	nM	Outside typical range
898	Ki	=	898000	nM	Outside typical range
5770	Ki	=	5770000	nM	Outside typical range
352	Ki	=	352000	nM	Outside typical range
133	Ki	=	133000	nM	Outside typical range
2780	Ki	=	2780000	nM	Outside typical range
881	Ki	=	881000	nM	Outside typical range
652	Ki	=	652000	nM	Outside typical range
808	Ki	=	808000	nM	Outside typical range
4920	Ki	=	4920000	nM	Outside typical range
1180	Ki	=	1180000	nM	Outside typical range
3550	Ki	=	3550000	nM	Outside typical range

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: CHEMBL3811117

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2016
Volume: 117
First Page: 269
Last Page: 282
DOI: 10.1016/j.ejmech.2016.03.047

Standard Type	Standard Relation	Standard Value
pKa	=	10.88
pKa	=	9.16
pKa	=	8.29

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

来源：ChEMBL 靶标：Coagulation factor XII

External ID: CHEMBL5626302

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: 2023
Volume: 259
First Page: 115636
Last Page: 115636
DOI: 10.1016/j.ejmech.2023.115636

Target ChEMBL ID: CHEMBL2821
ChEMBL Target Name: Coagulation factor XII
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
6	IC50	=	6000	nM
2757	IC50	=	2757000	nM	Outside typical range
0.529	Ki	=	529	nM
0.802	Ki	=	802	nM
0.0978	Ki	=	97.8	nM

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

来源：ChEMBL 靶标：Urokinase-type plasminogen activator

External ID: CHEMBL873883

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: 2000
Volume: 43
Issue: 21
First Page: 3862
Last Page: 3866
DOI: 10.1021/jm0002228

Target ChEMBL ID: CHEMBL3286
ChEMBL Target Name: Urokinase-type plasminogen activator
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.5	IC50	=	500	nM
7	IC50	=	7000	nM
10	IC50	=	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：Solute carrier family 22 member 1

External ID: CHEMBL4046325

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: 18
First Page: 4440
Last Page: 4445
DOI: 10.1016/j.bmcl.2017.08.008

Target ChEMBL ID: CHEMBL5685
ChEMBL Target Name: Solute carrier family 22 member 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
10	IC50	=	10000	nM
761.9	IC50	=	761900	nM	Outside typical range
6.3	IC50	=	6300	nM
22.6	IC50	=	22600	nM
0.9	IC50	=	900	nM
2.4	IC50	=	2400	nM

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

来源：ChEMBL 靶标：Solute carrier family 22 member 2

External ID: CHEMBL4046326

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: 18
First Page: 4440
Last Page: 4445
DOI: 10.1016/j.bmcl.2017.08.008

Target ChEMBL ID: CHEMBL1743122
ChEMBL Target Name: Solute carrier family 22 member 2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
18.9	IC50	=	18900	nM
96.2	IC50	=	96200	nM
11.3	IC50	=	11300	nM
48.3	IC50	=	48300	nM
8.3	IC50	=	8300	nM
4.4	IC50	=	4400	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: CHEMBL629390

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2003
Volume: 13
Issue: 6
First Page: 1119
Last Page: 1123
DOI: 10.1016/s0960-894x(03)00044-1

Standard Type	Standard Relation	Standard Value
LogPapp	=	1.16
LogPapp	=	-0.64
LogPapp	=	-1.32
LogPapp	=	-0.38
LogPapp	=	-1.17

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: CHEMBL818328

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 21
First Page: 3862
Last Page: 3866
DOI: 10.1021/jm0002228

Standard Type	Standard Relation	Standard Value
pKa	=	10.9
pKa	=	8.6
pKa	=	7.5
pKa	=	11.4
pKa	=	7.4

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

来源：ChEMBL 靶标：Plasma kallikrein

External ID: CHEMBL703579

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 11
First Page: 2956
Last Page: 2961
DOI: 10.1021/jm00173a008

Target ChEMBL ID: CHEMBL2000
ChEMBL Target Name: Plasma kallikrein
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	<	30	%
Inhibition	=	0.205	%
Inhibition	<	30	%
Inhibition	<	30	%

2002-16-6 靶点实验数据