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_7104_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	Standard Relation	PubChem Standard Value	IC50 Qualifier	IC50	Target Accession(s)	Ligand	Target
IC50		60		60000	P19156	BDBM50292547	Potassium-transporting ATPase alpha chain 1
IC50	>	100	>	100000	P19156	BDBM174832	Potassium-transporting ATPase alpha chain 1
IC50		10		10000	P19156	BDBM174833	Potassium-transporting ATPase alpha chain 1
IC50	>	100	>	100000	P19156	BDBM174834	Potassium-transporting ATPase alpha chain 1
IC50	>	100	>	100000	P19156	BDBM174835	Potassium-transporting ATPase alpha chain 1
IC50	>	100	>	100000	P19156	BDBM174836	Potassium-transporting ATPase alpha chain 1

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

来源：ChEMBL 靶标：Jurkat

External ID: CHEMBL2021321

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2012
Volume: 20
Issue: 10
First Page: 3180
Last Page: 3185
DOI: 10.1016/j.bmc.2012.03.074

Target ChEMBL ID: CHEMBL397
ChEMBL Target Name: Jurkat
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	IC50	>	100000	nM
78	IC50	=	78000	nM
75	IC50	=	75000	nM
83	IC50	=	83000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM

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

来源：ChEMBL 靶标：MDA-MB-231

External ID: CHEMBL4034027

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: 133
First Page: 50
Last Page: 61
DOI: 10.1016/j.ejmech.2017.03.068

Target ChEMBL ID: CHEMBL400
ChEMBL Target Name: MDA-MB-231
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
23.8	IC50	=	23800	nM
93	IC50	=	93000	nM
25.1	IC50	=	25100	nM
11.6	IC50	=	11600	nM
83.5	IC50	=	83500	nM
33	IC50	=	33000	nM
55.6	IC50	=	55600	nM
123.6	IC50	=	123600	nM	Outside typical range
23.5	IC50	=	23500	nM
200	IC50	>	200000	nM	Outside typical range
31.7	IC50	=	31700	nM
5.2	IC50	=	5200	nM
87.1	IC50	=	87100	nM
45.6	IC50	=	45600	nM
53.1	IC50	=	53100	nM
34.7	IC50	=	34700	nM
9.6	IC50	=	9600	nM
83.2	IC50	=	83200	nM
0.46	IC50	=	460	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：MCF7

External ID: CHEMBL4034028

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: 133
First Page: 50
Last Page: 61
DOI: 10.1016/j.ejmech.2017.03.068

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

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
23.4	IC50	=	23400	nM
121.1	IC50	=	121100	nM	Outside typical range
31.2	IC50	=	31200	nM
11.2	IC50	=	11200	nM
128.1	IC50	=	128100	nM	Outside typical range
31.6	IC50	=	31600	nM
111.9	IC50	=	111900	nM	Outside typical range
93.2	IC50	=	93200	nM
28.1	IC50	=	28100	nM
23.4	IC50	=	23400	nM
91.3	IC50	=	91300	nM
1.2	IC50	=	1200	nM
43.1	IC50	=	43100	nM
41.2	IC50	=	41200	nM
200	IC50	>	200000	nM	Outside typical range
34.3	IC50	=	34300	nM
11.2	IC50	=	11200	nM
103.7	IC50	=	103700	nM	Outside typical range
3.4	IC50	=	3400	nM

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: CHEMBL2021319

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2012
Volume: 20
Issue: 10
First Page: 3180
Last Page: 3185
DOI: 10.1016/j.bmc.2012.03.074

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

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	2	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	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：HepG2

External ID: CHEMBL2021320

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2012
Volume: 20
Issue: 10
First Page: 3180
Last Page: 3185
DOI: 10.1016/j.bmc.2012.03.074

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

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	IC50	>	100000	nM
100	IC50	>	100000	nM
93	IC50	=	93000	nM
90	IC50	=	90000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	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 Cellular Data

Protocol: N/A

Comment: N/A

Species	Strain	AssayMeth	CellType	CellType2	Target	Mutations	EC50Mod	EC50	EC50Unit	ECOtherPct	ECOtherPctUnit	ECOtherConc	ECOtherConcUnit	ToxAssayMeth	CC50Mod	CC50	CC50Unit	TIMod	TI	Comments	Reference	Citation	Other Information
HIV-1	LAI	RT	HuT TK+	HuT 78	Reverse transcriptase		<	1	uM	100	%	1	uM	MTT	>	10	uM	>	10	HuT TK+=HuT 78 CELLS EXPRESSING HSV-1 THYMIDINE KINASE; MEASUREMENT WAS MADE ON DAY10 POSTINFECTION AT 10 TCID50	9281520	USE OF HERPES SIMPLEX VIRUS THYMIDINE KINASE TO IMPROVE THE ANTIVIRAL ACTIVITY OF ZIDOVUDINE. Virology 1997, 235, 398-405.
HIV-1	MN	RT	HuT TK+	HuT 78	Reverse transcriptase		<	0.3	uM	76.74	%	0.3	uM	MTT	>	10	uM	>	33.3	HuT TK+=HuT 78 CELLS EXPRESSING HSV-1 THYMIDINE KINASE; MEASUREMENT WAS MADE ON DAY14 POSTINFECTION AT 10 TCID50	9281520	USE OF HERPES SIMPLEX VIRUS THYMIDINE KINASE TO IMPROVE THE ANTIVIRAL ACTIVITY OF ZIDOVUDINE. Virology 1997, 235, 398-405.
HIV-1	MN	RT	HuT TK+	HuT 78	Reverse transcriptase		<	0.3	uM	69	%	0.3	uM	MTT	>	10	uM	>	33.3	HuT TK+=HuT 78 CELLS EXPRESSING HSV-1 THYMIDINE KINASE; MEASUREMENT WAS MADE ON DAY14 POSTINFECTION AT 100 TCID50	9281520	USE OF HERPES SIMPLEX VIRUS THYMIDINE KINASE TO IMPROVE THE ANTIVIRAL ACTIVITY OF ZIDOVUDINE. Virology 1997, 235, 398-405.
R5; CLINICAL ISOLATE	1(JSL)	P24	PBMC		Reverse transcriptase	MDR		0.07	uM	90	%	1	uM	MTT	>	100	uM	>	1428	HIV-1(JSL) WAS ISOLATED FROM PATIENTS WHO RECEIVED ANTIRETROVIRAL THERAPY FOR A LONG PERIOD AND WHOSE VIRUS ACQUIRED A NUMBER OF MUTATIONS IN THE RT- AND PR-ENCODING GENES; DETAILS OF MUTATIONS NOT GIVEN	15280474	SPIRODIKETOPIPERAZINE-BASED CCR5 INHIBITOR WHICH PRESERVES CC-CHEMOKINE/CCR5 INTERACTIONS AND EXERTS POTENT ACTIVITY AGAINST R5 HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 IN VITRO. Journal of Virology 2004, 78(16), 8654-8662.	ECOtherConcMod:>
HIV-1	NL4-3	LUCIFERASE	1G5 T		Reverse transcriptase		<	1	uM	99	%	1	uM	TRYPAN BLUE	>	1	uM	>	1	ASSAY WAS CONDUCTED ON DAY 3 POST-INFECTION	16725040	INHIBITION OF HIGHLY PRODUCTIVE HIV-1 INFECTION IN T CELLS, PRIMARY HUMAN MACROPHAGES, MICROGLIA, AND ASTROCYTES BY SARGASSUM FUSIFORME. AIDS Research and Therapy 2006, 3(1), 15 PP.	CCOtherPct:6 \| CCOtherPctUnit:% \| CCOtherConc:1 \| CCOtherConcUnit:uM
HIV-1	NL4-3	LUCIFERASE	1G5 T		Reverse transcriptase		<	1	uM	99	%	1	uM	TRYPAN BLUE	>	1	uM	>	1	ASSAY WAS CONDUCTED ON DAY 5 POST-INFECTION	16725040	INHIBITION OF HIGHLY PRODUCTIVE HIV-1 INFECTION IN T CELLS, PRIMARY HUMAN MACROPHAGES, MICROGLIA, AND ASTROCYTES BY SARGASSUM FUSIFORME. AIDS Research and Therapy 2006, 3(1), 15 PP.	CCOtherPct:7 \| CCOtherPctUnit:% \| CCOtherConc:1 \| CCOtherConcUnit:uM
HIV-1	NL4-3	LUCIFERASE	1G5 T		Reverse transcriptase		<	1	uM	99	%	1	uM	TRYPAN BLUE	>	1	uM	>	1	ASSAY WAS CONDUCTED ON DAY 7 POST-INFECTION	16725040	INHIBITION OF HIGHLY PRODUCTIVE HIV-1 INFECTION IN T CELLS, PRIMARY HUMAN MACROPHAGES, MICROGLIA, AND ASTROCYTES BY SARGASSUM FUSIFORME. AIDS Research and Therapy 2006, 3(1), 15 PP.	CCOtherPct:3 \| CCOtherPctUnit:% \| CCOtherConc:1 \| CCOtherConcUnit:uM
HIV-1	LAV	RT	U1(THF-.alpha. STIM)	U1	Tumor necrosis factor alpha		~	30	ug/mL	70	%	50	ug/mL		>	50	ug/mL	>	1.66	CHRONICALLY HIV-1 INFECTED PROMONOCYTE CELL LINE	8327469	THALIDOMIDE INHIBITS THE REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1. Proceedings of the National Academy of Sciences of the United States of America 1993, 90, 5974-5978.	CCOtherPct:0 \| CCOtherPctUnit:% \| CCOtherConc:50 \| CCOtherConcUnit:ug/mL
HIV-1	BaL	P24 (DAY 18)	MACROPHAGES(GM-CSF)	Macrophage	Ribonucleotide reductase		<	10	uM	75	%	10	uM		>	1000	uM	>	10	MAXIMAL P24 EXPRESSION AT DAY 18	7973634	HYDROXYUREA AS AN INHIBITOR OF HUMAN IMMUNODEFICIENCY VIRUS-TYPE 1 REPLICATION. Science 1994, 266(5186), 801-805.	CCOtherPct:0 \| CCOtherPctUnit:% \| CCOtherConc:1000 \| CCOtherConcUnit:uM
HIV-1	BaL	P24 (DAY 18)	MACROPHAGES(GM-CSF)	Macrophage	Ribonucleotide reductase		<	10	uM	38	%	2	uM		>	1000	uM	>	10	MAXIMAL P24 EXPRESSION AT DAY 18	7973634	HYDROXYUREA AS AN INHIBITOR OF HUMAN IMMUNODEFICIENCY VIRUS-TYPE 1 REPLICATION. Science 1994, 266(5186), 801-805.	CCOtherPct:0 \| CCOtherPctUnit:% \| CCOtherConc:1000 \| CCOtherConcUnit:uM
HIV-1	BaL	P24 (DAY 18)	MACROPHAGES(GM-CSF)	Macrophage	Ribonucleotide reductase		<	10	uM	99	%	50	uM		>	1000	uM	>	10	MAXIMAL P24 EXPRESSION AT DAY 18	7973634	HYDROXYUREA AS AN INHIBITOR OF HUMAN IMMUNODEFICIENCY VIRUS-TYPE 1 REPLICATION. Science 1994, 266(5186), 801-805.	ECOtherPctMod:> \| CCOtherPct:0 \| CCOtherPctUnit:% \| CCOtherConc:1000 \| CCOtherConcUnit:uM
HIV-1	IIIB	RT	HT4(R116; AZT RESISTANT CELLS)	HT4	Reverse transcriptase		~	0.01	uM	70	%	0.01	uM		~`	1	uM	~	100	FLOXURIDINE APPEARS TO POTENTIATE AZT ACTIVITY AND ALSO HAVE SOME ANTI-HIV ACTIVITY IN AZT RESISTANT CELL LINES	8827211	USE OF FLOXURIDINE TO MODULATE THE ANTIVIRAL ACTIVITY OF ZIDOVUDINE. AIDS Research and Human Retroviruses 1996, 12(11), 965-968.	ECOtherPctMod:~ \| CCOtherPct:35 \| CCOtherPctUnit:% \| CCOtherConc:.1 \| CCOtherConcUnit:uM
HIV-1	1	.beta.GAL AS A MEASURE OF TAT-MEDIATED TRANSACTIVATION	HeLa H12(HIV-1 LTR-Laz, TAT)	HeLa	Tat:TAR/LTR		<	0.1	uM	52	%	0.1	uM	TRYPAN BLUE	>	100	uM	>	1000	DRUG AND RECOMBINANT TAT WERE INTRODUCED INTO CELLS THROUGH ELECTROPORATION	9561563	CURCUMIN AND CURCUMIN DERIVATIVES INHIBIT TAT-MEDIATED TRANSACTIVATION OF TYPE 1 HUMAN IMMUNODEFICIENCY VIRUS LONG TERMINAL REPEAT. Research in Virology 1998, 149(1), 43-52.
HIV-1	1	.beta.GAL AS A MEASURE OF TAT-MEDIATED TRANSACTIVATION	HeLa H12(HIV-1 LTR-Laz, TAT)	HeLa	Tat:TAR/LTR		<	0.01	uM	78	%	0.01	uM	TRYPAN BLUE	>	100	uM	>	10000	DRUG AND RECOMBINANT TAT WERE INTRODUCED INTO CELLS THROUGH ELECTROPORATION	9561563	CURCUMIN AND CURCUMIN DERIVATIVES INHIBIT TAT-MEDIATED TRANSACTIVATION OF TYPE 1 HUMAN IMMUNODEFICIENCY VIRUS LONG TERMINAL REPEAT. Research in Virology 1998, 149(1), 43-52.
HIV-1	IIIB	SYNCYT FORM	MOLT-4/H9(HIV-1(IIIB))	MOLT-4	gp120		<	1	uM	95	%	10	uM		-100	10	uM	>	10	CHRONICALLY INFECTED H9 CELLS	9343823	TRIAZINE DYES INHIBIT HIV-1 ENTRY BY BINDING TO ENVELOPE GLYCOPROTEINS. Microbiology and Immunology 1997, 41(9), 717-724.	CCOtherPct:30 \| CCOtherPctUnit:% \| CCOtherConc:10 \| CCOtherConcUnit:uM
HIV-1	1	.beta.GAL AS A MEASURE OF TAT-MEDIATED TRANSACTIVATION	HeLa H12(HIV-1 LTR-Laz, TAT)	HeLa	Tat:TAR/LTR		<	0.01	uM	75	%	0.01	uM	TRYPAN BLUE	>	100	uM	>	10000	DRUG AND RECOMBINANT TAT WERE INTRODUCED INTO CELLS THROUGH ELECTROPORATION	9561563	CURCUMIN AND CURCUMIN DERIVATIVES INHIBIT TAT-MEDIATED TRANSACTIVATION OF TYPE 1 HUMAN IMMUNODEFICIENCY VIRUS LONG TERMINAL REPEAT. Research in Virology 1998, 149(1), 43-52.
HIV-1	1	P24	MT-4		Integrase		<	0.25	uM	95	%	0.25	uM	MICROSCOPIC EXAMINATION	>	20	uM	>	80	IN THE PRESENCE OF 50% NHS	16554152	A SERIES OF 5-AMINOSUBSTITUTED 4-FLUOROBENZYL-8-HYDROXY-[1,6]NAPHTHYRIDINE-7-CARBOXAMIDE HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2006, 16(11), 2900-2904.	ECOtherPctMod:>
HIV-1	1	P24	MT-4		Integrase		<	0.103	uM	95	%	0.103	uM	MICROSCOPIC EXAMINATION	>	20	uM	>	194	IN THE PRESENCE OF 10% FBS	16554152	A SERIES OF 5-AMINOSUBSTITUTED 4-FLUOROBENZYL-8-HYDROXY-[1,6]NAPHTHYRIDINE-7-CARBOXAMIDE HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2006, 16(11), 2900-2904.	ECOtherPctMod:>
HIV-1	NL4-3	RT	MT-4		Reverse transcriptase		<	1	uM	100	%	1	uM	WST-8	>	1	uM	>	1	MEASUREMENTS WERE MADE ON DAY 4, 6 AND 8 POST INFECTION	15371436	POLYARGININE INHIBITS GP160 PROCESSING BY FURIN AND SUPPRESSES PRODUCTIVE HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 INFECTION. The Journal of Biological Chemistry 2004, 279(47), 49055-49063.
HIV-1	LAI	RT	HuT 78		Reverse transcriptase		<	1	uM	57.14	%	1	uM	MTT	>	10	uM	>	10	MEASUREMENT WAS MADE ON DAY10 POSTINFECTION AT 10 TCID50	9281520	USE OF HERPES SIMPLEX VIRUS THYMIDINE KINASE TO IMPROVE THE ANTIVIRAL ACTIVITY OF ZIDOVUDINE. Virology 1997, 235, 398-405.

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_4258_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	Standard Relation	PubChem Standard Value	IC50 Qualifier	IC50	Target Accession(s)	Ligand	Target
IC50		26		26000	Q00535	BDBM50155436	Cyclin-dependent kinase 5
IC50		533		533000	Q00535	BDBM59191	Cyclin-dependent kinase 5
IC50		247		247000	Q00535	BDBM59192	Cyclin-dependent kinase 5
IC50	>	1000	>	1000000	Q00535	BDBM59193	Cyclin-dependent kinase 5
IC50		0.7		700	Q00535	BDBM59195	Cyclin-dependent kinase 5
IC50		38		38000	Q00535	BDBM59196	Cyclin-dependent kinase 5
IC50		66		66000	Q00535	BDBM59197	Cyclin-dependent kinase 5
IC50	>	100	>	100000	Q00535	BDBM59198	Cyclin-dependent kinase 5
IC50		17		17000	Q00535	BDBM59199	Cyclin-dependent kinase 5
IC50		6.7		6700	Q00535	BDBM59200	Cyclin-dependent kinase 5

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: CHEMBL2021314

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2012
Volume: 20
Issue: 10
First Page: 3180
Last Page: 3185
DOI: 10.1016/j.bmc.2012.03.074

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

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	1	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	=	128	ug.mL-1
MIC	=	64	ug.mL-1
MIC	>	128	ug.mL-1
MIC	=	32	ug.mL-1
MIC	=	64	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：Moraxella catarrhalis

External ID: CHEMBL2021317

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2012
Volume: 20
Issue: 10
First Page: 3180
Last Page: 3185
DOI: 10.1016/j.bmc.2012.03.074

Target ChEMBL ID: CHEMBL614429
ChEMBL Target Name: Moraxella catarrhalis
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	<	0.125	ug.mL-1
MIC	=	128	ug.mL-1
MIC	=	16	ug.mL-1
MIC	=	128	ug.mL-1
MIC	=	16	ug.mL-1
MIC	=	128	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：COLO 320

External ID: CHEMBL4034031

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2017
Volume: 133
First Page: 50
Last Page: 61
DOI: 10.1016/j.ejmech.2017.03.068

Target ChEMBL ID: CHEMBL614257
ChEMBL Target Name: COLO 320
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
23.7	IC50	=	23700	nM
200	IC50	>	200000	nM	Outside typical range
200	IC50	>	200000	nM	Outside typical range
15.1	IC50	=	15100	nM
91.2	IC50	=	91200	nM
36.4	IC50	=	36400	nM
105.1	IC50	=	105100	nM	Outside typical range
73	IC50	=	73000	nM
93.2	IC50	=	93200	nM
93.7	IC50	=	93700	nM
37.7	IC50	=	37700	nM
15.2	IC50	=	15200	nM
77.1	IC50	=	77100	nM
55.1	IC50	=	55100	nM
83.1	IC50	=	83100	nM
35.7	IC50	=	35700	nM
12.1	IC50	=	12100	nM
63.1	IC50	=	63100	nM
10.5	IC50	=	10500	nM

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

来源：ChEMBL 靶标：Amine oxidase [flavin-containing] A

External ID: CHEMBL827909

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: 2004
Volume: 14
Issue: 22
First Page: 5611
Last Page: 5617
DOI: 10.1016/j.bmcl.2004.08.066

Target ChEMBL ID: CHEMBL1951
ChEMBL Target Name: Monoamine oxidase A
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
3.8	IC50	=	3800	nM
25	IC50	=	25000	nM
0.84	IC50	=	840	nM
24	IC50	=	24000	nM
8.5	IC50	=	8500	nM
23	IC50	=	23000	nM
0.04	IC50	=	40	nM
29	IC50	=	29000	nM
0.11	IC50	=	110	nM
20.2	IC50	=	20200	nM
5.3	IC50	=	5300	nM
24	IC50	=	24000	nM
30	IC50	=	30000	nM
4.5	IC50	=	4500	nM
65	IC50	=	65000	nM
31	IC50	=	31000	nM
3.8	IC50	=	3800	nM
1.1	IC50	=	1100	nM
0.18	IC50	=	180	nM
1.3	IC50	=	1300	nM

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

来源：ChEMBL 靶标：Haemophilus influenzae

External ID: CHEMBL2021318

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2012
Volume: 20
Issue: 10
First Page: 3180
Last Page: 3185
DOI: 10.1016/j.bmc.2012.03.074

Target ChEMBL ID: CHEMBL355
ChEMBL Target Name: Haemophilus influenzae
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	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	=	64	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	=	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：Streptococcus pneumoniae

External ID: CHEMBL2021315

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2012
Volume: 20
Issue: 10
First Page: 3180
Last Page: 3185
DOI: 10.1016/j.bmc.2012.03.074

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
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	<	0.125	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	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：HepG2

External ID: CHEMBL4034029

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: 133
First Page: 50
Last Page: 61
DOI: 10.1016/j.ejmech.2017.03.068

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

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
33.8	IC50	=	33800	nM
85.3	IC50	=	85300	nM
200	IC50	>	200000	nM	Outside typical range
11.7	IC50	=	11700	nM
200	IC50	>	200000	nM	Outside typical range
55.3	IC50	=	55300	nM
123.57	IC50	=	123570	nM	Outside typical range
89.7	IC50	=	89700	nM
63.3	IC50	=	63300	nM
200	IC50	>	200000	nM	Outside typical range
61.7	IC50	=	61700	nM
3.2	IC50	=	3200	nM
87.1	IC50	=	87100	nM
43.7	IC50	=	43700	nM
200	IC50	>	200000	nM	Outside typical range
32.7	IC50	=	32700	nM
8.7	IC50	=	8700	nM
63.8	IC50	=	63800	nM
9.2	IC50	=	9200	nM

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

来源：ChEMBL 靶标：Streptococcus pyogenes

External ID: CHEMBL2021316

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2012
Volume: 20
Issue: 10
First Page: 3180
Last Page: 3185
DOI: 10.1016/j.bmc.2012.03.074

Target ChEMBL ID: CHEMBL356
ChEMBL Target Name: Streptococcus pyogenes
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	<	0.125	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	>	128	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：K562

External ID: CHEMBL4034030

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: 133
First Page: 50
Last Page: 61
DOI: 10.1016/j.ejmech.2017.03.068

Target ChEMBL ID: CHEMBL385
ChEMBL Target Name: K562
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
28.5	IC50	=	28500	nM
200	IC50	>	200000	nM	Outside typical range
105.6	IC50	=	105600	nM	Outside typical range
45.1	IC50	=	45100	nM
73.5	IC50	=	73500	nM
60.1	IC50	=	60100	nM
55.6	IC50	=	55600	nM
103.1	IC50	=	103100	nM	Outside typical range
73.5	IC50	=	73500	nM
200	IC50	>	200000	nM	Outside typical range
31.2	IC50	=	31200	nM
5.2	IC50	=	5200	nM
52.1	IC50	=	52100	nM
45.1	IC50	=	45100	nM
63.1	IC50	=	63100	nM
34.2	IC50	=	34200	nM
29.1	IC50	=	29100	nM
53.5	IC50	=	53500	nM
13.4	IC50	=	13400	nM

6732-85-0 靶点实验数据