null

SMILES: CS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N

InChI Key: InChIKey=PMGJNAWJKVVCRP-MEMLXQNLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 102593   

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
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM102593 (US8536172, I-42) Show SMILES CS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-8.37,-5.78,;-8.37,-4.24,;-9.7,-3.46,;-9.7,-5.01,;-7.03,-3.47,;-7.03,-1.93,;-5.7,-1.16,;-5.7,.38,;-7.03,1.15,;-8.37,.38,;-8.37,-1.16,;-7.03,2.69,;-5.7,3.46,;-5.7,5,;-4.37,5.78,;-3.03,5,;-3.03,3.46,;-4.37,2.69,;-1.7,2.69,;-.23,3.17,;.67,1.92,;-.23,.68,;.09,-.83,;-1.06,-1.86,;-2.52,-1.38,;-2.84,.12,;-1.7,1.15,;1.57,-1.23,;1.97,-2.71,;3.46,-3.11,;4.55,-2.02,;4.15,-.54,;2.66,-.14,;6.04,-2.42,;6.43,-3.91,;7.12,-1.33,;8.61,-1.73,;9.7,-.64,)| Show InChI InChI=1S/C27H33N7O3S/c1-38(36,37)19-20-5-7-21(8-6-20)30-27-29-13-10-25(31-27)34-14-11-22-23(3-2-4-24(22)34)32-15-17-33(18-16-32)26(35)9-12-28/h2-4,10-11,13-14,20-21H,5-9,15-19H2,1H3,(H,29,30,31)/t20-,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.6	n/a	n/a	n/a	n/a	7.5	n/a
Roche Palo Alto LLC US Patent					Assay Description JNK activity was measured by phosphorylation of GST-ATF2 (19-96) with [gamma-33P] ATP.				US Patent US8536172 (2013) BindingDB Entry DOI: 10.7270/Q23N222K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM102593 (US8536172, I-42) Show SMILES CS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-8.37,-5.78,;-8.37,-4.24,;-9.7,-3.46,;-9.7,-5.01,;-7.03,-3.47,;-7.03,-1.93,;-5.7,-1.16,;-5.7,.38,;-7.03,1.15,;-8.37,.38,;-8.37,-1.16,;-7.03,2.69,;-5.7,3.46,;-5.7,5,;-4.37,5.78,;-3.03,5,;-3.03,3.46,;-4.37,2.69,;-1.7,2.69,;-.23,3.17,;.67,1.92,;-.23,.68,;.09,-.83,;-1.06,-1.86,;-2.52,-1.38,;-2.84,.12,;-1.7,1.15,;1.57,-1.23,;1.97,-2.71,;3.46,-3.11,;4.55,-2.02,;4.15,-.54,;2.66,-.14,;6.04,-2.42,;6.43,-3.91,;7.12,-1.33,;8.61,-1.73,;9.7,-.64,)| Show InChI InChI=1S/C27H33N7O3S/c1-38(36,37)19-20-5-7-21(8-6-20)30-27-29-13-10-25(31-27)34-14-11-22-23(3-2-4-24(22)34)32-15-17-33(18-16-32)26(35)9-12-28/h2-4,10-11,13-14,20-21H,5-9,15-19H2,1H3,(H,29,30,31)/t20-,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.5	n/a
Roche Palo Alto LLC US Patent					Assay Description JNK activity was measured by phosphorylation of GST-ATF2 (19-96) with [gamma-33P] ATP.				US Patent US8536172 (2013) BindingDB Entry DOI: 10.7270/Q23N222K
					More data for this Ligand-Target Pair