null

SMILES: N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2cccs2)n2ncc(Cl)c2n1

InChI Key: InChIKey=ZPHUHTHDIXSANO-SHTZXODSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 11440   

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))	BDBM11440 (5-N-(4-aminocyclohexyl)-3-chloro-7-N-[4-(thiophene...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2cccs2)n2ncc(Cl)c2n1 |r,wU:1.0,wD:4.7,(-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-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,;-8.54,7.02,;-8.56,5.48,;-10.04,5.04,;-10.92,6.3,;-9.99,7.53,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;-.53,.86,;-1.87,.09,)| Show InChI InChI=1S/C22H23ClN6O2S2/c23-18-13-25-29-20(12-19(28-22(18)29)26-15-5-3-14(24)4-6-15)27-16-7-9-17(10-8-16)33(30,31)21-2-1-11-32-21/h1-2,7-15,27H,3-6,24H2,(H,26,28)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	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))	BDBM11440 (5-N-(4-aminocyclohexyl)-3-chloro-7-N-[4-(thiophene...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2cccs2)n2ncc(Cl)c2n1 |r,wU:1.0,wD:4.7,(-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-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,;-8.54,7.02,;-8.56,5.48,;-10.04,5.04,;-10.92,6.3,;-9.99,7.53,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;-.53,.86,;-1.87,.09,)| Show InChI InChI=1S/C22H23ClN6O2S2/c23-18-13-25-29-20(12-19(28-22(18)29)26-15-5-3-14(24)4-6-15)27-16-7-9-17(10-8-16)33(30,31)21-2-1-11-32-21/h1-2,7-15,27H,3-6,24H2,(H,26,28)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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)