Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50247396'   

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))	BDBM50247396 (8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...) Show SMILES CC(C)OC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1 Show InChI InChI=1S/C16H18N4O2S/c1-8(2)20-7-18-10-5-6-11-13(12(10)16(20)21)23-15(19-11)14(17)22-9(3)4/h5-9,17H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB (unknown origin)				Eur J Med Chem 43: 1469-77 (2008) Article DOI: 10.1016/j.ejmech.2007.09.020 BindingDB Entry DOI: 10.7270/Q24M9495
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