Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50314051'   

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))	BDBM50314051 (CHEMBL1089082 | N-(3-(2-(pyridin-4-yl)pyrazolo[1,5...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1 Show InChI InChI=1S/C25H16F3N5O/c26-25(27,28)19-5-1-4-18(13-19)24(34)31-20-6-2-3-17(14-20)22-9-12-30-23-15-21(32-33(22)23)16-7-10-29-11-8-16/h1-15H,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 19: 6890-2 (2009) Article DOI: 10.1016/j.bmcl.2009.10.074 BindingDB Entry DOI: 10.7270/Q2C829F3
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