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 = 'BDBM50006378'   

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 (Homo sapiens (Human))	BDBM50006378 (3,3'-dimethyl-1'H,2H,5H-spiro[imidazolidine-4,4'-q...) Show SMILES CN1C(=O)NC(=O)C11N(C)C(=O)Nc2ccccc12 Show InChI InChI=1S/C12H12N4O3/c1-15-10(18)13-8-6-4-3-5-7(8)12(15)9(17)14-11(19)16(12)2/h3-6H,1-2H3,(H,13,18)(H,14,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens				J Med Chem 35: 2085-94 (1992) BindingDB Entry DOI: 10.7270/Q2V123RK
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