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 = 'BDBM59233'   

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))	BDBM59233 (Pyrazolopyrimidone analog, RGB-310590) Show SMILES COc1ccc(Cc2nc3n(ncc3c(=O)[nH]2)-c2c(Cl)cc(Cl)cc2Cl)cc1 |(-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.33,.02,;-.05,-2.8,;-1.13,-3.89,;-.74,-5.38,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)| Show InChI InChI=1S/C19H13Cl3N4O2/c1-28-12-4-2-10(3-5-12)6-16-24-18-13(19(27)25-16)9-23-26(18)17-14(21)7-11(20)8-15(17)22/h2-5,7-9H,6H2,1H3,(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GPC Biotech, Inc.					Assay Description Inhibition of HCT116 cell proliferation after 72hr of incubation with compounds was determined by SRB Assay.				Chem Biol 12: 1103-15 (2005) Article DOI: 10.1016/j.chembiol.2005.08.008 BindingDB Entry DOI: 10.7270/Q28W3BR6
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