Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50326171'   

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))	BDBM50326171 (CHEMBL1243004 | dimethyl 6,6'-sulfonylbis(3-acetam...) Show SMILES COC(=O)c1cc(NC(C)=O)ccc1S(=O)(=O)c1ccc(NC(C)=O)cc1C(=O)OC Show InChI InChI=1S/C20H20N2O8S/c1-11(23)21-13-5-7-17(15(9-13)19(25)29-3)31(27,28)18-8-6-14(22-12(2)24)10-16(18)20(26)30-4/h5-10H,1-4H3,(H,21,23)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan Curated by ChEMBL					Assay Description Inhibition of CDK1				Eur J Med Chem 45: 4316-30 (2010) Article DOI: 10.1016/j.ejmech.2010.06.034 BindingDB Entry DOI: 10.7270/Q2W66KZM
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