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 = 'BDBM50431354'   

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))	BDBM50431354 (CHEMBL2348643) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C#N Show InChI InChI=1S/C22H24N8OS/c1-14-20(32-22(24-3)26-14)19-16(12-23)13-25-21(28-19)27-17-4-6-18(7-5-17)30-10-8-29(9-11-30)15(2)31/h4-7,13H,8-11H2,1-3H3,(H,24,26)(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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