BDBM50055687 3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-pyridyl)methyl]-4,7-dihydroxy-2H-2-chromenone::CHEMBL235959::CHEMBL84340

SMILES: Oc1ccc2c(O)c(C(c3ccccn3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1

InChI Key: InChIKey=GOILOMCGUQUBPC-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50055687   

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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50055687 (3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-pyridyl)me...) Show SMILES Oc1ccc2c(O)c(C(c3ccccn3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C24H15NO8/c26-11-4-6-13-16(9-11)32-23(30)19(21(13)28)18(15-3-1-2-8-25-15)20-22(29)14-7-5-12(27)10-17(14)33-24(20)31/h1-10,18,26-29H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50055687 (3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-pyridyl)me...) Show SMILES Oc1ccc2c(O)c(C(c3ccccn3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C24H15NO8/c26-11-4-6-13-16(9-11)32-23(30)19(21(13)28)18(15-3-1-2-8-25-15)20-22(29)14-7-5-12(27)10-17(14)33-24(20)31/h1-10,18,26-29H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+4	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)	BDBM50055687 (3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-pyridyl)me...) Show SMILES Oc1ccc2c(O)c(C(c3ccccn3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C24H15NO8/c26-11-4-6-13-16(9-11)32-23(30)19(21(13)28)18(15-3-1-2-8-25-15)20-22(29)14-7-5-12(27)10-17(14)33-24(20)31/h1-10,18,26-29H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.04E+7	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))	BDBM50055687 (3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-pyridyl)me...) Show SMILES Oc1ccc2c(O)c(C(c3ccccn3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C24H15NO8/c26-11-4-6-13-16(9-11)32-23(30)19(21(13)28)18(15-3-1-2-8-25-15)20-22(29)14-7-5-12(27)10-17(14)33-24(20)31/h1-10,18,26-29H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	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))	BDBM50055687 (3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-pyridyl)me...) Show SMILES Oc1ccc2c(O)c(C(c3ccccn3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C24H15NO8/c26-11-4-6-13-16(9-11)32-23(30)19(21(13)28)18(15-3-1-2-8-25-15)20-22(29)14-7-5-12(27)10-17(14)33-24(20)31/h1-10,18,26-29H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+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 in presence of BSA				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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50055687 (3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-pyridyl)me...) Show SMILES Oc1ccc2c(O)c(C(c3ccccn3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C24H15NO8/c26-11-4-6-13-16(9-11)32-23(30)19(21(13)28)18(15-3-1-2-8-25-15)20-22(29)14-7-5-12(27)10-17(14)33-24(20)31/h1-10,18,26-29H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+4	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