BDBM50113718 CHEMBL80402::N*2*-Benzyl-N*6*-(3-chloro-phenyl)-N*2*-(2-dimethylamino-ethyl)-9-isopropyl-9H-purine-2,6-diamine

SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCN(C)C)Cc1ccccc1

InChI Key: InChIKey=NZKHLCGGXIVSCV-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 = 50113718   

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))	BDBM50113718 (CHEMBL80402 | N*2*-Benzyl-N*6*-(3-chloro-phenyl)-N...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCN(C)C)Cc1ccccc1 Show InChI InChI=1S/C25H30ClN7/c1-18(2)33-17-27-22-23(28-21-12-8-11-20(26)15-21)29-25(30-24(22)33)32(14-13-31(3)4)16-19-9-6-5-7-10-19/h5-12,15,17-18H,13-14,16H2,1-4H3,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+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