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 = 'BDBM50229024'   

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))	BDBM50229024 (CHEMBL3349372) Show SMILES CC(C)c1c(O)c(O)c(\C=N\O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(\C=N\O)c2c1O |(-.81,7.22,;.52,6.45,;1.86,7.22,;.52,4.91,;1.86,4.14,;3.19,4.91,;1.86,2.6,;3.19,1.83,;.52,1.83,;.52,.29,;1.86,-.48,;1.86,-2.02,;-.81,2.6,;-2.14,1.83,;-2.14,.29,;-3.48,2.6,;-3.48,4.14,;-4.81,4.91,;-2.14,4.91,;-.81,4.14,;-4.81,1.83,;-4.81,.29,;-3.48,-.48,;-6.14,-.48,;-7.48,.29,;-8.81,-.48,;-8.81,-2.02,;-7.48,-2.79,;-10.14,-2.79,;-10.14,.29,;-11.48,-.48,;-10.14,1.83,;-11.48,2.6,;-8.81,2.6,;-8.81,4.14,;-7.48,4.91,;-7.48,6.45,;-7.48,1.83,;-6.14,2.6,;-6.14,4.14,)| Show InChI InChI=1S/C30H32N2O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31-39)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32-40)24(16)28(22)36/h7-12,33-40H,1-6H3/b31-9+,32-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against Aldose reductase from human placenta				J Med Chem 34: 3301-5 (1991) BindingDB Entry DOI: 10.7270/Q2VM4B7C
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