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 = 'BDBM6356'   

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))	BDBM6356 (8-Cyclopentyl-2-(4-piperidin-1-yl-phenylamino)-8H-...) Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1 Show InChI InChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				J Med Chem 48: 2371-87 (2005) Article DOI: 10.1021/jm049355+ BindingDB Entry DOI: 10.7270/Q2S46Q5B
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