Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113708'   

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))	BDBM50113708 (2-{1-[9-Isopropyl-6-(2-trifluoromethyl-benzylamino...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3C(F)(F)F)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C23H29F3N6O/c1-15(2)32-14-28-19-20(27-13-16-7-3-4-9-18(16)23(24,25)26)29-22(30-21(19)32)31-11-6-5-8-17(31)10-12-33/h3-4,7,9,14-15,17,33H,5-6,8,10-13H2,1-2H3,(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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