Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B' and Ligand = 'BDBM7295'   

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
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7295 ((E)-2-(3-oxo-1-butenyl)-9-trifluoromethylpaullone ...) Show SMILES CC(=O)C=Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1 |w:4.4| Show InChI InChI=1S/C21H15F3N2O2/c1-11(27)2-3-12-4-6-18-16(8-12)20-15(10-19(28)25-18)14-9-13(21(22,23)24)5-7-17(14)26-20/h2-9,26H,10H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				Eur J Biochem 267: 5983-94 (2000) Article DOI: 10.1046/j.1432-1327.2000.01673.x BindingDB Entry DOI: 10.7270/Q2CR5RJS
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