Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C1' and Ligand = 'BDBM50293436'   

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 C1 (Homo sapiens (Human))	BDBM50293436 (2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...) Show SMILES CCOC1CCC\C1=C/c1ccc(Cl)cc1 Show InChI InChI=1S/C14H17ClO/c1-2-16-14-5-3-4-12(14)10-11-6-8-13(15)9-7-11/h6-10,14H,2-5H2,1H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21				Eur J Med Chem 44: 2563-71 (2009) Article DOI: 10.1016/j.ejmech.2009.01.028 BindingDB Entry DOI: 10.7270/Q2319VW9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50293436 (2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...) Show SMILES CCOC1CCC\C1=C/c1ccc(Cl)cc1 Show InChI InChI=1S/C14H17ClO/c1-2-16-14-5-3-4-12(14)10-11-6-8-13(15)9-7-11/h6-10,14H,2-5H2,1H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21				Eur J Med Chem 44: 2563-71 (2009) Article DOI: 10.1016/j.ejmech.2009.01.028 BindingDB Entry DOI: 10.7270/Q2319VW9
					More data for this Ligand-Target Pair