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

来源：ChEMBL 靶标：Polyunsaturated fatty acid 5-lipoxygenase

External ID: CHEMBL4709182

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 204
First Page: 112620
Last Page: 112620
DOI: 10.1016/j.ejmech.2020.112620

Target ChEMBL ID: CHEMBL215
ChEMBL Target Name: Arachidonate 5-lipoxygenase
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	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%

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

来源：ChEMBL 靶标：HT1197

External ID: CHEMBL996385

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 1998
Volume: 61
Issue: 7
First Page: 867
Last Page: 871
DOI: 10.1021/np970367q

Target ChEMBL ID: CHEMBL614836
ChEMBL Target Name: HT1197
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
IC50	=	41.81	ug.mL-1
IC50	=	8.43	ug.mL-1
IC50	=	46.26	ug.mL-1
IC50	=	18.81	ug.mL-1
IC50	=	20.84	ug.mL-1
IC50	=	14.56	ug.mL-1
IC50	=	28.14	ug.mL-1
IC50	=	44.64	ug.mL-1
IC50				Not Determined
IC50	=	2.2	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：N/A

External ID: CHEMBL996386

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 1998
Volume: 61
Issue: 7
First Page: 867
Last Page: 871
DOI: 10.1021/np970367q

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
IC50				Not Determined
IC50	=	33.63	ug.mL-1
IC50	=	97.14	ug.mL-1		Outside typical range
IC50	=	54.58	ug.mL-1		Outside typical range
IC50	=	66.42	ug.mL-1		Outside typical range
IC50	=	73.24	ug.mL-1		Outside typical range
IC50				Not Determined
IC50	=	59.11	ug.mL-1		Outside typical range
IC50				Not Determined
IC50	>	100	ug.mL-1		Outside typical range

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：Prostaglandin G/H synthase 1

External ID: CHEMBL4709175

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: 2020
Volume: 204
First Page: 112620
Last Page: 112620
DOI: 10.1016/j.ejmech.2020.112620

Target ChEMBL ID: CHEMBL2949
ChEMBL Target Name: Cyclooxygenase-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
4.5	IC50	=	4500	nM
1.07	IC50	=	1070	nM
2.38	IC50	=	2380	nM
18.92	IC50	=	18920	nM
5.42	IC50	=	5420	nM
6.11	IC50	=	6110	nM
2.65	IC50	=	2650	nM
1.07	IC50	=	1070	nM
15.78	IC50	=	15780	nM
3.38	IC50	=	3380	nM

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

来源：ChEMBL 靶标：HCT-15

External ID: CHEMBL1019380

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 1998
Volume: 61
Issue: 7
First Page: 867
Last Page: 871
DOI: 10.1021/np970367q

Target ChEMBL ID: CHEMBL612263
ChEMBL Target Name: HCT-15
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
IC50	=	31.9	ug.mL-1
IC50	=	14.88	ug.mL-1
IC50	=	12.7	ug.mL-1
IC50	=	29.9	ug.mL-1
IC50	=	32.9	ug.mL-1
IC50	=	29.7	ug.mL-1
IC50	=	8.39	ug.mL-1
IC50	>	50	ug.mL-1
IC50				Not Determined
IC50	=	15.32	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：SK-OV-3

External ID: CHEMBL1019381

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 1998
Volume: 61
Issue: 7
First Page: 867
Last Page: 871
DOI: 10.1021/np970367q

Target ChEMBL ID: CHEMBL614925
ChEMBL Target Name: SK-OV-3
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
IC50				Not Determined
IC50	=	23.4	ug.mL-1
IC50	>	50	ug.mL-1
IC50	=	12.9	ug.mL-1
IC50				Not Determined
IC50	>	50	ug.mL-1
IC50	>	50	ug.mL-1
IC50	=	20.4	ug.mL-1
IC50				Not Determined
IC50	>	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：A549

External ID: CHEMBL1019378

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 1998
Volume: 61
Issue: 7
First Page: 867
Last Page: 871
DOI: 10.1021/np970367q

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	Standard Relation	Standard Value	Standard Units	Activity Comment
IC50	=	11.9	ug.mL-1
IC50	>	50	ug.mL-1
IC50	=	31.3	ug.mL-1
IC50	=	9.09	ug.mL-1
IC50	=	11.8	ug.mL-1
IC50	=	25.9	ug.mL-1
IC50	=	29.2	ug.mL-1
IC50	>	50	ug.mL-1
IC50				Not Determined
IC50	>	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：MCF7

External ID: CHEMBL1019379

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 1998
Volume: 61
Issue: 7
First Page: 867
Last Page: 871
DOI: 10.1021/np970367q

Target ChEMBL ID: CHEMBL387
ChEMBL Target Name: MCF7
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
IC50	=	8.71	ug.mL-1
IC50	=	5.68	ug.mL-1
IC50	=	6.44	ug.mL-1
IC50	=	5.56	ug.mL-1
IC50	=	7.19	ug.mL-1
IC50	=	7.04	ug.mL-1
IC50	=	5.06	ug.mL-1
IC50	=	22.67	ug.mL-1
IC50				Not Determined
IC50	=	1.91	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：Prostaglandin G/H synthase 2

External ID: CHEMBL4709176

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: 2020
Volume: 204
First Page: 112620
Last Page: 112620
DOI: 10.1016/j.ejmech.2020.112620

Target ChEMBL ID: CHEMBL230
ChEMBL Target Name: Cyclooxygenase-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
2.46	IC50	=	2460	nM
15.92	IC50	=	15920	nM
0.57	IC50	=	570	nM
2.74	IC50	=	2740	nM
1.9	IC50	=	1900	nM
8.97	IC50	=	8970	nM
4.65	IC50	=	4650	nM
4.81	IC50	=	4810	nM
2.71	IC50	=	2710	nM
0.55	IC50	=	550	nM
5.82	IC50	=	5820	nM
1.55	IC50	=	1550	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: CHEMBL4709177

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 204
First Page: 112620
Last Page: 112620
DOI: 10.1016/j.ejmech.2020.112620

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	2.38
Ratio IC50	=	0.79
Ratio IC50	=	1.83
Ratio IC50	=	0.87
Ratio IC50	=	9.96
Ratio IC50	=	0.28
Ratio IC50	=	1.17
Ratio IC50	=	1.27
Ratio IC50	=	1.95
Ratio IC50	=	3.47

5259-01-8 靶点实验数据