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 = 'BDBM50431349'   

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))	BDBM50431349 (CHEMBL2348648) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F Show InChI InChI=1S/C19H21FN6OS/c1-12-17(28-19(21-2)23-12)16-15(20)11-22-18(25-16)24-13-4-3-5-14(10-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)(H,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair