Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113714'   

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))	BDBM50113714 (CHEMBL306288 | N*6*-(3-Chloro-phenyl)-9-isopropyl-...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCc3ccccc3C(F)(F)F)nc12 Show InChI InChI=1S/C22H20ClF3N6/c1-13(2)32-12-28-18-19(29-16-8-5-7-15(23)10-16)30-21(31-20(18)32)27-11-14-6-3-4-9-17(14)22(24,25)26/h3-10,12-13H,11H2,1-2H3,(H2,27,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+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