Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C2' and Ligand = 'BDBM50124577'   

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 C2 (Homo sapiens (Human))	BDBM50124577 (CHEMBL3623738) Show SMILES OC(=O)c1ccccc1Nc1ccc(cc1)S(F)(F)(F)(F)F Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-7-5-9(6-8-10)19-12-4-2-1-3-11(12)13(20)21/h1-8,19H,(H,20,21)	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	150	n/a	n/a	n/a	n/a	n/a	n/a
RWTH Aachen University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) using S-tetralol as substrate				Bioorg Med Chem Lett 25: 4437-40 (2015) Article DOI: 10.1016/j.bmcl.2015.09.012 BindingDB Entry DOI: 10.7270/Q2M04786
					More data for this Ligand-Target Pair