BDBM50543413 CHEMBL4649502

SMILES: Cc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1

InChI Key: InChIKey=WFURWNIVABYJJS-UHFFFAOYSA-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 = 50543413   

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
Aldo-keto-reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543413 (CHEMBL4649502) Show SMILES Cc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C17H14N2O3/c1-10-4-2-6-12(8-10)19-17(21)13-9-11-5-3-7-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020)
					More data for this Ligand-Target Pair