Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113750'   

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))	BDBM50113750 (2-{1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-pur...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCC2CCO)cc1 Show InChI InChI=1S/C23H32N6O2/c1-16(2)29-15-25-20-21(24-14-17-7-9-19(31-3)10-8-17)26-23(27-22(20)29)28-12-5-4-6-18(28)11-13-30/h7-10,15-16,18,30H,4-6,11-14H2,1-3H3,(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	2.10E+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
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