BDBM50440269 CHEMBL474264

SMILES: Oc1ccc(\C=C\c2ccc(cc2)C(F)(F)F)cc1O

InChI Key: InChIKey=JYLSJNRRLFBCQO-OWOJBTEDSA-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 = 50440269   

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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440269 (CHEMBL474264) Show SMILES Oc1ccc(\C=C\c2ccc(cc2)C(F)(F)F)cc1O Show InChI InChI=1S/C15H11F3O2/c16-15(17,18)12-6-3-10(4-7-12)1-2-11-5-8-13(19)14(20)9-11/h1-9,19-20H/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair