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 = 'BDBM50016612'   

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)	BDBM50016612 (2-(Acetyl-phenyl-amino)-propionic acid | CHEMBL417...) Show SMILES CC(N(C(C)=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C11H13NO3/c1-8(11(14)15)12(9(2)13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+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 10 - 1300				J Med Chem 32: 1033-8 (1989) BindingDB Entry DOI: 10.7270/Q2CV4GQC
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