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 = 'BDBM50010443'   

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))	BDBM50010443 (1,1'-Dihydroxy-5,5'-diisopropyl-6,7,6',7'-tetramet...) Show SMILES COc1c(OC)c(C(C)C)c2cc(C)c(c(O)c2c1C=O)-c1c(C)cc2c(C(C)C)c(OC)c(OC)c(C=O)c2c1O |(1.57,-11.37,;2.92,-10.58,;4.26,-11.35,;4.26,-12.91,;2.92,-13.69,;1.57,-12.91,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;6.92,-11.35,;5.59,-10.58,;5.59,-9.03,;4.26,-8.26,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;16.19,-13.65,;16.19,-15.21,;17.54,-15.98,;14.86,-15.98,;17.54,-12.91,;18.85,-13.69,;20.21,-12.91,;17.54,-11.35,;18.85,-10.58,;20.21,-11.35,;16.19,-10.58,;16.18,-9.03,;17.51,-8.26,;14.86,-11.35,;13.55,-10.58,;13.55,-9.03,)| Show InChI InChI=1S/C34H38O8/c1-15(2)23-19-11-17(5)25(29(37)27(19)21(13-35)31(39-7)33(23)41-9)26-18(6)12-20-24(16(3)4)34(42-10)32(40-8)22(14-36)28(20)30(26)38/h11-16,37-38H,1-10H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.70E+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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