BDBM50113748 2-(1-{9-Isopropyl-6-[(naphthalen-2-ylmethyl)-amino]-9H-purin-2-yl}-piperidin-2-yl)-ethanol::CHEMBL76917

SMILES: CC(C)n1cnc2c(NCc3ccc4ccccc4c3)nc(nc12)N1CCCCC1CCO

InChI Key: InChIKey=WIWQGZFRTDZKMC-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 = 50113748   

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))	BDBM50113748 (2-(1-{9-Isopropyl-6-[(naphthalen-2-ylmethyl)-amino...) Show SMILES CC(C)n1cnc2c(NCc3ccc4ccccc4c3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C26H32N6O/c1-18(2)32-17-28-23-24(27-16-19-10-11-20-7-3-4-8-21(20)15-19)29-26(30-25(23)32)31-13-6-5-9-22(31)12-14-33/h3-4,7-8,10-11,15,17-18,22,33H,5-6,9,12-14,16H2,1-2H3,(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+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