BDBM50113738 2-[1-(6-Benzylamino-9-isopropyl-9H-purin-2-yl)-piperidin-2-yl]-ethanol::CHEMBL76592

SMILES: CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCCCC1CCO

InChI Key: InChIKey=IEUVSECKUQECNQ-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 = 50113738   

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))	BDBM50113738 (2-[1-(6-Benzylamino-9-isopropyl-9H-purin-2-yl)-pip...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C22H30N6O/c1-16(2)28-15-24-19-20(23-14-17-8-4-3-5-9-17)25-22(26-21(19)28)27-12-7-6-10-18(27)11-13-29/h3-5,8-9,15-16,18,29H,6-7,10-14H2,1-2H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+5	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