BDBM50113752 2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3,3-dimethyl-butan-1-ol::CHEMBL540188

SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)C(C)(C)C)nc12

InChI Key: InChIKey=UJJMBDRCOCNYID-OAHLLOKOSA-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 = 50113752   

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))	BDBM50113752 (2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)C(C)(C)C)nc12 Show InChI InChI=1S/C20H27ClN6O/c1-12(2)27-11-22-16-17(23-14-8-6-7-13(21)9-14)25-19(26-18(16)27)24-15(10-28)20(3,4)5/h6-9,11-12,15,28H,10H2,1-5H3,(H2,23,24,25,26)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30E+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