BDBM50396737 CHEMBL2172248

SMILES: Cc1cc(Nc2cc(ccc2C)C(O)=O)nc(C)n1

InChI Key: InChIKey=ADVCNTXYIOLPAF-UHFFFAOYSA-N

Data: 1 KI

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 = 50396737   

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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50396737 (CHEMBL2172248) Show SMILES Cc1cc(Nc2cc(ccc2C)C(O)=O)nc(C)n1 Show InChI InChI=1S/C14H15N3O2/c1-8-4-5-11(14(18)19)7-12(8)17-13-6-9(2)15-10(3)16-13/h4-7H,1-3H3,(H,18,19)(H,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair