BDBM50427661 CHEMBL2323477

SMILES: Cc1c(CC(O)=O)c2cc(F)ccc2n1C(=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=MEVIRVSMGHEUHK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50427661   

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))	BDBM50427661 (CHEMBL2323477) Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H13F4NO3/c1-10-14(9-17(25)26)15-8-13(20)5-6-16(15)24(10)18(27)11-3-2-4-12(7-11)19(21,22)23/h2-8H,9H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50427661 (CHEMBL2323477) Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H13F4NO3/c1-10-14(9-17(25)26)15-8-13(20)5-6-16(15)24(10)18(27)11-3-2-4-12(7-11)19(21,22)23/h2-8H,9H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
					More data for this Ligand-Target Pair