null

SMILES: O[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)Nc2nccc(n2)-n2ccc3c(cccc23)N2CCN(CC2)C(=O)CC#N)C1

InChI Key: InChIKey=HSKLQQAXYWFOHP-WXFUMESZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 102576   

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))	BDBM102576 (US8536172, I-25) Show SMILES O[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)Nc2nccc(n2)-n2ccc3c(cccc23)N2CCN(CC2)C(=O)CC#N)C1 |r,wU:9.12,wD:6.5,1.0,(-13.08,1.6,;-12.31,2.94,;-12.78,4.4,;-11.54,5.31,;-10.29,4.4,;-8.96,5.17,;-7.63,4.4,;-7.63,2.86,;-6.29,2.09,;-4.96,2.86,;-4.96,4.4,;-6.29,5.17,;-3.62,2.09,;-2.29,2.86,;-2.29,4.4,;-.96,5.17,;.38,4.4,;.38,2.86,;-.96,2.09,;1.71,2.09,;3.17,2.57,;4.08,1.32,;3.17,.08,;3.49,-1.43,;2.35,-2.46,;.89,-1.98,;.57,-.48,;1.71,.55,;4.98,-1.83,;5.38,-3.32,;6.87,-3.71,;7.96,-2.62,;7.56,-1.14,;6.07,-.74,;9.44,-3.02,;10.53,-1.93,;9.84,-4.51,;11.33,-4.91,;12.82,-5.31,;-10.77,2.94,)| Show InChI InChI=1S/C30H38N8O2/c31-12-8-29(40)37-18-16-36(17-19-37)26-2-1-3-27-25(26)11-15-38(27)28-9-13-32-30(34-28)33-23-6-4-22(5-7-23)20-35-14-10-24(39)21-35/h1-3,9,11,13,15,22-24,39H,4-8,10,14,16-21H2,(H,32,33,34)/t22-,23-,24-/m1/s1	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	25.6	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))	BDBM102576 (US8536172, I-25) Show SMILES O[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)Nc2nccc(n2)-n2ccc3c(cccc23)N2CCN(CC2)C(=O)CC#N)C1 |r,wU:9.12,wD:6.5,1.0,(-13.08,1.6,;-12.31,2.94,;-12.78,4.4,;-11.54,5.31,;-10.29,4.4,;-8.96,5.17,;-7.63,4.4,;-7.63,2.86,;-6.29,2.09,;-4.96,2.86,;-4.96,4.4,;-6.29,5.17,;-3.62,2.09,;-2.29,2.86,;-2.29,4.4,;-.96,5.17,;.38,4.4,;.38,2.86,;-.96,2.09,;1.71,2.09,;3.17,2.57,;4.08,1.32,;3.17,.08,;3.49,-1.43,;2.35,-2.46,;.89,-1.98,;.57,-.48,;1.71,.55,;4.98,-1.83,;5.38,-3.32,;6.87,-3.71,;7.96,-2.62,;7.56,-1.14,;6.07,-.74,;9.44,-3.02,;10.53,-1.93,;9.84,-4.51,;11.33,-4.91,;12.82,-5.31,;-10.77,2.94,)| Show InChI InChI=1S/C30H38N8O2/c31-12-8-29(40)37-18-16-36(17-19-37)26-2-1-3-27-25(26)11-15-38(27)28-9-13-32-30(34-28)33-23-6-4-22(5-7-23)20-35-14-10-24(39)21-35/h1-3,9,11,13,15,22-24,39H,4-8,10,14,16-21H2,(H,32,33,34)/t22-,23-,24-/m1/s1	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	4.20	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