Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1' and Ligand = 'BDBM59230'   

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))	BDBM59230 (Pyrazolopyrimidone analog, RGB-285960) Show SMILES CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCN4CCOCC4)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-18.47,3.35,;-19.8,2.58,;-19.8,1.04,;-18.47,.27,;-17.13,1.04,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)| Show InChI InChI=1S/C27H29Cl2N5O3/c1-17(2)24-23-26(34(32-24)25-20(28)4-3-5-21(25)29)30-22(31-27(23)35)16-18-6-8-19(9-7-18)37-15-12-33-10-13-36-14-11-33/h3-9,17H,10-16H2,1-2H3,(H,30,31,35)	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	64	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
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM59230 (Pyrazolopyrimidone analog, RGB-285960) Show SMILES CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCN4CCOCC4)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-18.47,3.35,;-19.8,2.58,;-19.8,1.04,;-18.47,.27,;-17.13,1.04,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)| Show InChI InChI=1S/C27H29Cl2N5O3/c1-17(2)24-23-26(34(32-24)25-20(28)4-3-5-21(25)29)30-22(31-27(23)35)16-18-6-8-19(9-7-18)37-15-12-33-10-13-36-14-11-33/h3-9,17H,10-16H2,1-2H3,(H,30,31,35)	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	310	n/a	n/a	n/a	n/a	n/a	n/a
GPC Biotech, Inc.					Assay Description Inhibition of in vitro kinase activity of purified CDKs.				Chem Biol 12: 1103-15 (2005) Article DOI: 10.1016/j.chembiol.2005.08.008 BindingDB Entry DOI: 10.7270/Q28W3BR6
					More data for this Ligand-Target Pair