Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1' and Ligand = 'BDBM50443450'   

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/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50443450 (CHEMBL3087443) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N Show InChI InChI=1S/C19H21N7O3S2/c1-12-17(30-19(21-2)24-12)16-13(10-20)11-22-18(26-16)25-14-5-4-6-15(9-14)31(27,28)23-7-8-29-3/h4-6,9,11,23H,7-8H2,1-3H3,(H,21,24)(H,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair