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 = 'BDBM7565'   

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))	BDBM7565 (4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(CCC(C)(O)c3ccccc3)nc12 Show InChI InChI=1S/C25H29N5O/c1-18(2)30-17-27-22-23(26-16-19-10-6-4-7-11-19)28-21(29-24(22)30)14-15-25(3,31)20-12-8-5-9-13-20/h4-13,17-18,31H,14-16H2,1-3H3,(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					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. 32...				Bioorg Med Chem Lett 8: 793-8 (1998) Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN
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