Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113726'   

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))	BDBM50113726 (2-{1-[6-(4-Amino-benzylamino)-9-isopropyl-9H-purin...) Show SMILES CC(C)n1cnc2c(NCc3ccc(N)cc3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C22H31N7O/c1-15(2)29-14-25-19-20(24-13-16-6-8-17(23)9-7-16)26-22(27-21(19)29)28-11-4-3-5-18(28)10-12-30/h6-9,14-15,18,30H,3-5,10-13,23H2,1-2H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+5	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