BDBM50113728 CHEMBL305823::{1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-cyclopentyl}-methanol

SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3(CO)CCCC3)nc12

InChI Key: InChIKey=DMOGNNLPJAQGHP-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 = 50113728   

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))	BDBM50113728 (CHEMBL305823 | {1-[6-(3-Chloro-phenylamino)-9-isop...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3(CO)CCCC3)nc12 Show InChI InChI=1S/C20H25ClN6O/c1-13(2)27-12-22-16-17(23-15-7-5-6-14(21)10-15)24-19(25-18(16)27)26-20(11-28)8-3-4-9-20/h5-7,10,12-13,28H,3-4,8-9,11H2,1-2H3,(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+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