BDBM50113714 CHEMBL306288::N*6*-(3-Chloro-phenyl)-9-isopropyl-N*2*-(2-trifluoromethyl-benzyl)-9H-purine-2,6-diamine

SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCc3ccccc3C(F)(F)F)nc12

InChI Key: InChIKey=FCCOQWUQEFXMDG-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 = 50113714   

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))	BDBM50113714 (CHEMBL306288 | N*6*-(3-Chloro-phenyl)-9-isopropyl-...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCc3ccccc3C(F)(F)F)nc12 Show InChI InChI=1S/C22H20ClF3N6/c1-13(2)32-12-28-18-19(29-16-8-5-7-15(23)10-16)30-21(31-20(18)32)27-11-14-6-3-4-9-17(14)22(24,25)26/h3-10,12-13H,11H2,1-2H3,(H2,27,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+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