Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113741'   

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))	BDBM50113741 (2-{1-[9-Isopropyl-6-(3-phenyl-propylamino)-9H-puri...) Show SMILES CC(C)n1cnc2c(NCCCc3ccccc3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C24H34N6O/c1-18(2)30-17-26-21-22(25-14-8-11-19-9-4-3-5-10-19)27-24(28-23(21)30)29-15-7-6-12-20(29)13-16-31/h3-5,9-10,17-18,20,31H,6-8,11-16H2,1-2H3,(H,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+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
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