BDBM7567 (4Z)-5-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]pent-4-en-1-ol::C2-substituted purine deriv. 4

SMILES: CC(C)n1cnc2c(NCc3ccccc3)nc(\C=C/CCCO)nc12

InChI Key: InChIKey=MNVIEGNDCWOCAR-XFFZJAGNSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 7567   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7567 ((4Z)-5-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(\C=C/CCCO)nc12 Show InChI InChI=1S/C20H25N5O/c1-15(2)25-14-22-18-19(21-13-16-9-5-3-6-10-16)23-17(24-20(18)25)11-7-4-8-12-26/h3,5-7,9-11,14-15,26H,4,8,12-13H2,1-2H3,(H,21,23,24)/b11-7-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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
					More data for this Ligand-Target Pair