Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C3' and Ligand = 'BDBM50430718'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50430718 (CHEMBL2333523) Show SMILES CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O Show InChI InChI=1S/C16H22N2O3S/c1-13-4-2-10-17(12-13)22(20,21)15-8-6-14(7-9-15)18-11-3-5-16(18)19/h6-9,13H,2-5,10-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) overexpressed in human HCT116 cells assessed as inhibition of aerobic reduction of dinitrobenzamide...				Eur J Med Chem 62: 738-44 (2013) Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50430718 (CHEMBL2333523) Show SMILES CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O Show InChI InChI=1S/C16H22N2O3S/c1-13-4-2-10-17(12-13)22(20,21)15-8-6-14(7-9-15)18-11-3-5-16(18)19/h6-9,13H,2-5,10-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...				Eur J Med Chem 62: 738-44 (2013) Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX
					More data for this Ligand-Target Pair