BDBM50466800 CHEMBL4290035

SMILES: COc1cccc(\C=C\C(=O)c2c(O)c3ccc(OC)cc3oc2=O)c1

InChI Key: InChIKey=GQSQKPJWOGJYPC-RMKNXTFCSA-N

Data: 1 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 1 hit for monomerid = 50466800   

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))	BDBM50466800 (CHEMBL4290035) Show SMILES COc1cccc(\C=C\C(=O)c2c(O)c3ccc(OC)cc3oc2=O)c1 Show InChI InChI=1S/C20H16O6/c1-24-13-5-3-4-12(10-13)6-9-16(21)18-19(22)15-8-7-14(25-2)11-17(15)26-20(18)23/h3-11,22H,1-2H3/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/...				Eur J Med Chem 127: 828-839 (2017) Article DOI: 10.1016/j.ejmech.2016.10.062 BindingDB Entry DOI: 10.7270/Q24X5BGG
					More data for this Ligand-Target Pair