Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50245409'   

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))	BDBM50245409 (4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...) Show SMILES COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Bioorg Med Chem Lett 18: 4896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.057 BindingDB Entry DOI: 10.7270/Q2NS0TPB
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