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 = 'BDBM50107134'   

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)	BDBM50107134 (CHEMBL136855 | [2-(Carboxymethyl-hydrazono)-3-(4-t...) Show SMILES OC(=O)CN\N=c1/n(Cc2ccc(cc2)C(F)(F)F)c2ccccc2n1C(=O)C(O)=O Show InChI InChI=1S/C19H15F3N4O5/c20-19(21,22)12-7-5-11(6-8-12)10-25-13-3-1-2-4-14(13)26(16(29)17(30)31)18(25)24-23-9-15(27)28/h1-8,23H,9-10H2,(H,27,28)(H,30,31)/b24-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
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