Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113723'   

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))	BDBM50113723 (1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC(O)CC2)cc1 Show InChI InChI=1S/C21H28N6O2/c1-14(2)27-13-23-18-19(22-12-15-4-6-17(29-3)7-5-15)24-21(25-20(18)27)26-10-8-16(28)9-11-26/h4-7,13-14,16,28H,8-12H2,1-3H3,(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+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