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 = 'BDBM6876'   

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))	BDBM6876 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3l ...) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1S(=O)(=O)c1c(F)cccc1F Show InChI InChI=1S/C14H12F2N6O4S2/c15-10-2-1-3-11(16)12(10)28(25,26)22-13(17)20-14(21-22)19-8-4-6-9(7-5-8)27(18,23)24/h1-7H,(H2,18,23,24)(H3,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	8.0	30
Johnson & Johnson Pharmaceutical					Assay Description The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...				J Med Chem 48: 4208-11 (2005) Article DOI: 10.1021/jm050267e BindingDB Entry DOI: 10.7270/Q22F7KNX
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