null

SMILES: CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(O[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=ZUBSRRZQLYNLKF-SAABIXHNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 11435   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM11435 (4-({5-[(4-aminocyclohexyl)oxy]-3-(propan-2-yl)pyra...) Show SMILES CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(O[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:24.24,(2.91,-1.4,;1.41,-1.08,;.38,-2.22,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,)| Show InChI InChI=1S/C23H32N6O3S/c1-15(2)20-14-25-29-21(26-17-7-11-19(12-8-17)33(30,31)28(3)4)13-22(27-23(20)29)32-18-9-5-16(24)6-10-18/h7-8,11-16,18,26H,5-6,9-10,24H2,1-4H3/t16-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	30
Martin-Luther-University Halle-Wittenberg					Assay Description In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...				Bioorg Med Chem Lett 15: 823-5 (2005) Article DOI: 10.1016/j.bmcl.2004.10.091 BindingDB Entry DOI: 10.7270/Q2QZ2853
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM11435 (4-({5-[(4-aminocyclohexyl)oxy]-3-(propan-2-yl)pyra...) Show SMILES CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(O[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:24.24,(2.91,-1.4,;1.41,-1.08,;.38,-2.22,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,)| Show InChI InChI=1S/C23H32N6O3S/c1-15(2)20-14-25-29-21(26-17-7-11-19(12-8-17)33(30,31)28(3)4)13-22(27-23(20)29)32-18-9-5-16(24)6-10-18/h7-8,11-16,18,26H,5-6,9-10,24H2,1-4H3/t16-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	22
Vernalis (R&D) Ltd					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 15: 863-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.073 BindingDB Entry DOI: 10.7270/Q2ZK5DWP
					More data for this Ligand-Target Pair				3D Structure (docked)