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 = 'BDBM6437'   

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))	BDBM6437 ((3-Chlorophenyl){6-[2-((3-hydroxypropyl)amino)oxaz...) Show SMILES OCCCNc1ncc(o1)-c1cncc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C16H16ClN5O2/c17-11-3-1-4-12(7-11)21-15-10-18-8-13(22-15)14-9-20-16(24-14)19-5-2-6-23/h1,3-4,7-10,23H,2,5-6H2,(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...				J Med Chem 48: 1886-900 (2005) Article DOI: 10.1021/jm040099a BindingDB Entry DOI: 10.7270/Q2HM56NC
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