Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50264579'   

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))	BDBM50264579 (7-(5-(2-morpholinoethoxy)-1H-indol-2-yl)isoindolin...) Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12 Show InChI InChI=1S/C22H23N3O3/c26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25/h1-5,12-13,24H,6-11,14H2,(H,23,26)	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: 5130-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.090 BindingDB Entry DOI: 10.7270/Q2RF5TVZ
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