Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113690'   

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))	BDBM50113690 (2-{Benzyl-[6-(3-chloro-phenylamino)-9-isopropyl-9H...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)Cc1ccccc1 Show InChI InChI=1S/C23H25ClN6O/c1-16(2)30-15-25-20-21(26-19-10-6-9-18(24)13-19)27-23(28-22(20)30)29(11-12-31)14-17-7-4-3-5-8-17/h3-10,13,15-16,31H,11-12,14H2,1-2H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+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