Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50164700'   

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))	BDBM50164700 ((3H-Benzoimidazol-5-yl)-[4-(3-methoxy-phenylsulfan...) Show SMILES COc1cccc(Sc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C19H14F3N5OS/c1-28-12-3-2-4-13(8-12)29-17-14(19(20,21)22)9-23-18(27-17)26-11-5-6-15-16(7-11)25-10-24-15/h2-10H,1H3,(H,24,25)(H,23,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
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