BDBM50427656 CHEMBL2323482

SMILES: Cc1c(CCC(O)=O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=IRIACGXTWHBCDK-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 = 50427656   

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))	BDBM50427656 (CHEMBL2323482) Show SMILES Cc1c(CCC(O)=O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15ClFNO3/c1-11-15(7-9-18(23)24)16-10-14(21)6-8-17(16)22(11)19(25)12-2-4-13(20)5-3-12/h2-6,8,10H,7,9H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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))	BDBM50427656 (CHEMBL2323482) Show SMILES Cc1c(CCC(O)=O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15ClFNO3/c1-11-15(7-9-18(23)24)16-10-14(21)6-8-17(16)22(11)19(25)12-2-4-13(20)5-3-12/h2-6,8,10H,7,9H2,1H3,(H,23,24)	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	1.36E+4	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