BDBM50055689 12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxatetraphen-11-one (Compound 13)::7-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-7H-chromeno[4,3-b]chromen-6-one::CHEMBL32926

SMILES: Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12

InChI Key: InChIKey=OALUGYLIPAUKCN-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50055689   

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
HIV-1 Integrase (Human immunodeficiency virus type 1)	BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) Show SMILES Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Nirma University, Ahmedabad, 382 481, India.					Assay Description HIV-1 integrase inhibitory activity of compounds were determined using strand transferase inhibitory assay.				Chem Biol Drug Des 83: 154-66 (2014) Article DOI: 10.1111/cbdd.12207 BindingDB Entry DOI: 10.7270/Q2QR4VSW
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) Show SMILES Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) Show SMILES Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+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)	BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) Show SMILES Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.32E+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))	BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) Show SMILES Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	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)	BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) Show SMILES Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity of compound against integrase ; 122163				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) Show SMILES Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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