BDBM50113699 2-{1-[9-Isopropyl-6-(2-phenylamino-ethylamino)-9H-purin-2-yl]-piperidin-2-yl}-ethanol::CHEMBL79491

SMILES: CC(C)n1cnc2c(NCCNc3ccccc3)nc(nc12)N1CCCCC1CCO

InChI Key: InChIKey=QVRZMAQQVHGQMR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50113699   

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))	BDBM50113699 (2-{1-[9-Isopropyl-6-(2-phenylamino-ethylamino)-9H-...) Show SMILES CC(C)n1cnc2c(NCCNc3ccccc3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C23H33N7O/c1-17(2)30-16-26-20-21(25-13-12-24-18-8-4-3-5-9-18)27-23(28-22(20)30)29-14-7-6-10-19(29)11-15-31/h3-5,8-9,16-17,19,24,31H,6-7,10-15H2,1-2H3,(H,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
					More data for this Ligand-Target Pair