Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113701'   

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))	BDBM50113701 (2-{[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-...) Show SMILES CCN([C@@H](CO)C(C)C)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H29ClN6O/c1-6-27(17(11-29)13(2)3)21-25-19(24-16-9-7-8-15(22)10-16)18-20(26-21)28(12-23-18)14(4)5/h7-10,12-14,17,29H,6,11H2,1-5H3,(H,24,25,26)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+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