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 = 'BDBM50241817'   

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))	BDBM50241817 (CHEMBL4081954) Show SMILES Oc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C19H17NO5/c21-14-6-3-12(4-7-14)2-1-9-20-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,21-22H,1-2,9H2,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1C2 using S-tetralol as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair