BDBM102556 US8536172, I-5

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

InChI Key: InChIKey=WXVQYEDPGNFMIL-MEMLXQNLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 102556   

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))	BDBM102556 (US8536172, I-5) Show SMILES CN([C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(C)=O)S(C)(=O)=O |r,wU:5.8,wD:2.1,(-4.41,-4.24,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;7.72,-3.91,;8.41,-1.33,;-7.08,-4.24,;-8.41,-3.47,;-7.08,-5.78,;-7.85,-2.9,)| Show InChI InChI=1S/C26H35N7O3S/c1-19(34)31-15-17-32(18-16-31)23-5-4-6-24-22(23)12-14-33(24)25-11-13-27-26(29-25)28-20-7-9-21(10-8-20)30(2)37(3,35)36/h4-6,11-14,20-21H,7-10,15-18H2,1-3H3,(H,27,28,29)/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	105	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))	BDBM102556 (US8536172, I-5) Show SMILES CN([C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(C)=O)S(C)(=O)=O |r,wU:5.8,wD:2.1,(-4.41,-4.24,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;7.72,-3.91,;8.41,-1.33,;-7.08,-4.24,;-8.41,-3.47,;-7.08,-5.78,;-7.85,-2.9,)| Show InChI InChI=1S/C26H35N7O3S/c1-19(34)31-15-17-32(18-16-31)23-5-4-6-24-22(23)12-14-33(24)25-11-13-27-26(29-25)28-20-7-9-21(10-8-20)30(2)37(3,35)36/h4-6,11-14,20-21H,7-10,15-18H2,1-3H3,(H,27,28,29)/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	10.3	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