null

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

InChI Key: InChIKey=WMOAJNNZXGCJHX-WGSAOQKQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 102606   

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))	BDBM102606 (US8536172, I-55) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:4.7,wD:1.0,(-7.01,-3.45,;-7.01,-1.91,;-5.68,-1.14,;-5.68,.4,;-7.01,1.17,;-8.34,.4,;-8.34,-1.14,;-7.01,2.71,;-5.68,3.48,;-5.68,5.02,;-4.34,5.79,;-3.01,5.02,;-3.01,3.48,;-4.34,2.71,;-1.68,2.71,;-.21,3.18,;.69,1.94,;-.21,.69,;.11,-.82,;-1.04,-1.85,;-2.5,-1.37,;-2.82,.13,;-1.68,1.17,;1.6,-1.22,;2,-2.7,;3.48,-3.1,;4.57,-2.01,;4.17,-.53,;2.69,-.13,;6.06,-2.41,;7.15,-1.32,;6.46,-3.9,;7.95,-4.3,;8.34,-5.79,)| Show InChI InChI=1S/C25H29N7O2/c26-11-8-24(34)31-16-14-30(15-17-31)21-2-1-3-22-20(21)10-13-32(22)23-9-12-27-25(29-23)28-18-4-6-19(33)7-5-18/h1-3,9-10,12-13,18-19,33H,4-8,14-17H2,(H,27,28,29)/t18-,19-	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	23.1	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))	BDBM102606 (US8536172, I-55) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:4.7,wD:1.0,(-7.01,-3.45,;-7.01,-1.91,;-5.68,-1.14,;-5.68,.4,;-7.01,1.17,;-8.34,.4,;-8.34,-1.14,;-7.01,2.71,;-5.68,3.48,;-5.68,5.02,;-4.34,5.79,;-3.01,5.02,;-3.01,3.48,;-4.34,2.71,;-1.68,2.71,;-.21,3.18,;.69,1.94,;-.21,.69,;.11,-.82,;-1.04,-1.85,;-2.5,-1.37,;-2.82,.13,;-1.68,1.17,;1.6,-1.22,;2,-2.7,;3.48,-3.1,;4.57,-2.01,;4.17,-.53,;2.69,-.13,;6.06,-2.41,;7.15,-1.32,;6.46,-3.9,;7.95,-4.3,;8.34,-5.79,)| Show InChI InChI=1S/C25H29N7O2/c26-11-8-24(34)31-16-14-30(15-17-31)21-2-1-3-22-20(21)10-13-32(22)23-9-12-27-25(29-23)28-18-4-6-19(33)7-5-18/h1-3,9-10,12-13,18-19,33H,4-8,14-17H2,(H,27,28,29)/t18-,19-	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	4.40	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