Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113742'   

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))	BDBM50113742 (2-[9-Isopropyl-6-(2-trifluoromethyl-phenylamino)-9...) Show SMILES CC(C)n1cnc2c(Nc3ccccc3C(F)(F)F)nc(NCCO)nc12 Show InChI InChI=1S/C17H19F3N6O/c1-10(2)26-9-22-13-14(24-16(21-7-8-27)25-15(13)26)23-12-6-4-3-5-11(12)17(18,19)20/h3-6,9-10,27H,7-8H2,1-2H3,(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	1.00E+7	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