BDBM7559 4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-2-phenylbut-3-yn-2-ol::C-2 alkynylated purine deriv. 2g::CHEMBL336351

SMILES: CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC(C)(O)c1ccccc1

InChI Key: InChIKey=RSBOHUHMRVKCFO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 7559   

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 (Homo sapiens (Human))	BDBM7559 (4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC(C)(O)c1ccccc1 Show InChI InChI=1S/C25H25N5O/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,16H2,1-3H3,(H,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7559 (4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC(C)(O)c1ccccc1 Show InChI InChI=1S/C25H25N5O/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,16H2,1-3H3,(H,26,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	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