BDBM50427673 CHEMBL2323515

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(=O)(=O)c3ccc4ccccc4c3)c(C)c2c1

InChI Key: InChIKey=FJRNPGCUFVCATL-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 = 50427673   

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))	BDBM50427673 (CHEMBL2323515) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(=O)(=O)c3ccc4ccccc4c3)c(C)c2c1 Show InChI InChI=1S/C30H25ClN2O5S/c1-19-26-18-24(38-2)12-14-28(26)33(30(35)21-7-10-23(31)11-8-21)27(19)15-16-29(34)32-39(36,37)25-13-9-20-5-3-4-6-22(20)17-25/h3-14,17-18H,15-16H2,1-2H3,(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	7.23E+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))	BDBM50427673 (CHEMBL2323515) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(=O)(=O)c3ccc4ccccc4c3)c(C)c2c1 Show InChI InChI=1S/C30H25ClN2O5S/c1-19-26-18-24(38-2)12-14-28(26)33(30(35)21-7-10-23(31)11-8-21)27(19)15-16-29(34)32-39(36,37)25-13-9-20-5-3-4-6-22(20)17-25/h3-14,17-18H,15-16H2,1-2H3,(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	2.54E+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