BDBM50427671 CHEMBL2323517

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F)c(C)c2c1

InChI Key: InChIKey=MYCRGXZCLQQCGH-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 = 50427671   

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 C2 (Homo sapiens (Human))	BDBM50427671 (CHEMBL2323517) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F)c(C)c2c1 Show InChI InChI=1S/C27H22ClF3N2O5S/c1-16-22-15-20(38-2)9-12-24(22)33(26(35)17-3-7-19(28)8-4-17)23(16)13-14-25(34)32-39(36,37)21-10-5-18(6-11-21)27(29,30)31/h3-12,15H,13-14H2,1-2H3,(H,32,34)	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	3.37E+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
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50427671 (CHEMBL2323517) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F)c(C)c2c1 Show InChI InChI=1S/C27H22ClF3N2O5S/c1-16-22-15-20(38-2)9-12-24(22)33(26(35)17-3-7-19(28)8-4-17)23(16)13-14-25(34)32-39(36,37)21-10-5-18(6-11-21)27(29,30)31/h3-12,15H,13-14H2,1-2H3,(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+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