Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113716'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50113716 (2-[9-Isopropyl-6-(naphthalen-2-ylamino)-9H-purin-2...) Show SMILES CC(C)n1cnc2c(Nc3ccc4ccccc4c3)nc(NCCO)nc12 Show InChI InChI=1S/C20H22N6O/c1-13(2)26-12-22-17-18(24-20(21-9-10-27)25-19(17)26)23-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11-13,27H,9-10H2,1-2H3,(H2,21,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.30E+8	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