BindingDB PrimarySearch

BDBM506 3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl}(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-4-hydroxy-2H-chromen-2-one::CHEMBL293914::Cancer Chemotherapy National Service Center (CCNSC) compound 158393::NSC 158393

SMILES: Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12

InChI Key: InChIKey=BXKKDJUEVYKLOT-UHFFFAOYSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 506
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	6.5	37
National Institutes of Health					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 39: 2047-54 (1996) Article DOI: 10.1021/jm950874+ BindingDB Entry DOI: 10.7270/Q2S46Q4W
National Institutes of Health					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				J Med Chem 39: 2472-81 (1996) Article DOI: 10.1021/jm960074e BindingDB Entry DOI: 10.7270/Q2DR2W5P
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant integrase by strand transfer in vitro assay				J Med Chem 40: 930-6 (1997) Article DOI: 10.1021/jm960754h BindingDB Entry DOI: 10.7270/Q24X56VR
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant integrase by 3'-processing in vitro assay				J Med Chem 40: 930-6 (1997) Article DOI: 10.1021/jm960754h BindingDB Entry DOI: 10.7270/Q24X56VR
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	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
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against topoisomerase I.				J Med Chem 39: 2472-81 (1996) Article DOI: 10.1021/jm960074e BindingDB Entry DOI: 10.7270/Q2DR2W5P
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	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	2.00E+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 in presence of BSA				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	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	110	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
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Protease.				J Med Chem 39: 2472-81 (1996) Article DOI: 10.1021/jm960074e BindingDB Entry DOI: 10.7270/Q2DR2W5P
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 2 integrase (Human immunodeficiency virus 2)	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against HIV-2 Integrase was measured using 3'-processing (3'-proc) assay.				J Med Chem 39: 2472-81 (1996) Article DOI: 10.1021/jm960074e BindingDB Entry DOI: 10.7270/Q2DR2W5P
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				J Med Chem 39: 2472-81 (1996) Article DOI: 10.1021/jm960074e BindingDB Entry DOI: 10.7270/Q2DR2W5P
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair