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 = 'BDBM50478796'   

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)	BDBM50478796 (CHEMBL479174) Show SMILES [K;v0+].[H][C@]12[#6]-[#6]-[#7](-[#6])-[#6][C@@]1([H])c1cc(-[#6]-[#6](-[#8-])=O)ccc1-[#7]2 |r| Show InChI InChI=1S/C14H18N2O2.K/c1-16-5-4-13-11(8-16)10-6-9(7-14(17)18)2-3-12(10)15-13;/h2-3,6,11,13,15H,4-5,7-8H2,1H3,(H,17,18);/q;+1/p-1/t11-,13-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2				Bioorg Med Chem 16: 4908-20 (2008) Article DOI: 10.1016/j.bmc.2008.03.039 BindingDB Entry DOI: 10.7270/Q2HQ42PT
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