Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50016614'   

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 B1 (Rattus norvegicus)	BDBM50016614 (2-[Acetyl-(4-methoxy-phenyl)-amino]-propionic acid...) Show SMILES COc1ccc(cc1)N(C(C)C(O)=O)C(C)=O Show InChI InChI=1S/C12H15NO4/c1-8(12(15)16)13(9(2)14)10-4-6-11(17-3)7-5-10/h4-8H,1-3H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibition of aldose reductase from rat lens. Value ranges from 300 - 2000				J Med Chem 32: 1033-8 (1989) BindingDB Entry DOI: 10.7270/Q2CV4GQC
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