BDBM50226816 4-Hydroxy-3-[(4-hydroxy-2-oxo-4a,8a-dihydro-2H-chromen-3-yl)-(4-methoxy-phenyl)-methyl]-chromen-2-one::4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-methoxyphenyl)methyl)-2H-chromen-2-one::CHEMBL238294

SMILES: COc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O

InChI Key: InChIKey=CMEFNVYVKZNNGL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50226816   

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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50226816 (4-Hydroxy-3-[(4-hydroxy-2-oxo-4a,8a-dihydro-2H-chr...) Show SMILES COc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C26H18O7/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)32-25(21)29)22-24(28)17-7-3-5-9-19(17)33-26(22)30/h2-13,20,27-28H,1H3	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	220	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50226816 (4-Hydroxy-3-[(4-hydroxy-2-oxo-4a,8a-dihydro-2H-chr...) Show SMILES COc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C26H18O7/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)32-25(21)29)22-24(28)17-7-3-5-9-19(17)33-26(22)30/h2-13,20,27-28H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of jack bean urease				Bioorg Med Chem 16: 3456-61 (2008) Article DOI: 10.1016/j.bmc.2005.09.048 BindingDB Entry DOI: 10.7270/Q2474C5K
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50226816 (4-Hydroxy-3-[(4-hydroxy-2-oxo-4a,8a-dihydro-2H-chr...) Show SMILES COc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C26H18O7/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)32-25(21)29)22-24(28)17-7-3-5-9-19(17)33-26(22)30/h2-13,20,27-28H,1H3	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	8.70E+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 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