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SMILES: Oc1c(C(c2cccs2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12

InChI Key: InChIKey=VGJKTZUBVAMNAZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50055715   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50055715 (4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(2-thie...) Show SMILES Oc1c(C(c2cccs2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C23H14O6S/c24-20-12-6-1-3-8-14(12)28-22(26)18(20)17(16-10-5-11-30-16)19-21(25)13-7-2-4-9-15(13)29-23(19)27/h1-11,17,24-25H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Integration of DNA by HIV -1 integrase				J Med Chem 40: 242-9 (1997) Article DOI: 10.1021/jm960450v BindingDB Entry DOI: 10.7270/Q2DN444V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50055715 (4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(2-thie...) Show SMILES Oc1c(C(c2cccs2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C23H14O6S/c24-20-12-6-1-3-8-14(12)28-22(26)18(20)17(16-10-5-11-30-16)19-21(25)13-7-2-4-9-15(13)29-23(19)27/h1-11,17,24-25H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against 3'-processing of DNA by HIV-1 integrase				J Med Chem 40: 242-9 (1997) Article DOI: 10.1021/jm960450v BindingDB Entry DOI: 10.7270/Q2DN444V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50055715 (4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(2-thie...) Show SMILES Oc1c(C(c2cccs2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C23H14O6S/c24-20-12-6-1-3-8-14(12)28-22(26)18(20)17(16-10-5-11-30-16)19-21(25)13-7-2-4-9-15(13)29-23(19)27/h1-11,17,24-25H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	6.76E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Human immunodeficiency virus 1 integrase				Citation and Details Article DOI: 10.1007/s00044-010-9520-1 BindingDB Entry DOI: 10.7270/Q2PN98HT
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50055715 (4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(2-thie...) Show SMILES Oc1c(C(c2cccs2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C23H14O6S/c24-20-12-6-1-3-8-14(12)28-22(26)18(20)17(16-10-5-11-30-16)19-21(25)13-7-2-4-9-15(13)29-23(19)27/h1-11,17,24-25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50055715 (4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(2-thie...) Show SMILES Oc1c(C(c2cccs2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C23H14O6S/c24-20-12-6-1-3-8-14(12)28-22(26)18(20)17(16-10-5-11-30-16)19-21(25)13-7-2-4-9-15(13)29-23(19)27/h1-11,17,24-25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50055715 (4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(2-thie...) Show SMILES Oc1c(C(c2cccs2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C23H14O6S/c24-20-12-6-1-3-8-14(12)28-22(26)18(20)17(16-10-5-11-30-16)19-21(25)13-7-2-4-9-15(13)29-23(19)27/h1-11,17,24-25H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against 3'-processing of DNA byHIV-1 integrase				J Med Chem 40: 242-9 (1997) Article DOI: 10.1021/jm960450v BindingDB Entry DOI: 10.7270/Q2DN444V
					More data for this Ligand-Target Pair