Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 8' and Ligand = 'BDBM102561' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/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)) | BDBM102561
(US8536172, I-10)Show SMILES CC(=O)OCC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:28.30,wD:31.37,(9.75,-5.64,;8.27,-5.24,;7.18,-6.33,;7.87,-3.75,;6.38,-3.35,;5.98,-1.87,;7.07,-.78,;4.49,-1.47,;3.41,-2.56,;1.92,-2.16,;1.52,-.67,;2.61,.42,;4.1,.02,;.03,-.27,;-1.11,-1.3,;-2.58,-.83,;-2.9,.68,;-1.75,1.71,;-1.75,3.25,;-.29,3.73,;.62,2.48,;-.29,1.23,;-3.09,4.02,;-3.09,5.56,;-4.42,6.33,;-5.75,5.56,;-5.75,4.02,;-7.09,3.25,;-7.09,1.71,;-5.75,.94,;-5.75,-.6,;-7.09,-1.37,;-8.42,-.6,;-8.42,.94,;-7.09,-2.91,;-8.42,-3.68,;-9.75,-2.91,;-8.42,-5.22,;-7.09,-4.45,;-4.42,3.25,)| Show InChI InChI=1S/C27H35N7O5S/c1-19(35)39-18-26(36)33-16-14-32(15-17-33)23-4-3-5-24-22(23)11-13-34(24)25-10-12-28-27(30-25)29-20-6-8-21(9-7-20)31-40(2,37)38/h3-5,10-13,20-21,31H,6-9,14-18H2,1-2H3,(H,28,29,30)/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 | 10.4 | 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)) | BDBM102561
(US8536172, I-10)Show SMILES CC(=O)OCC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:28.30,wD:31.37,(9.75,-5.64,;8.27,-5.24,;7.18,-6.33,;7.87,-3.75,;6.38,-3.35,;5.98,-1.87,;7.07,-.78,;4.49,-1.47,;3.41,-2.56,;1.92,-2.16,;1.52,-.67,;2.61,.42,;4.1,.02,;.03,-.27,;-1.11,-1.3,;-2.58,-.83,;-2.9,.68,;-1.75,1.71,;-1.75,3.25,;-.29,3.73,;.62,2.48,;-.29,1.23,;-3.09,4.02,;-3.09,5.56,;-4.42,6.33,;-5.75,5.56,;-5.75,4.02,;-7.09,3.25,;-7.09,1.71,;-5.75,.94,;-5.75,-.6,;-7.09,-1.37,;-8.42,-.6,;-8.42,.94,;-7.09,-2.91,;-8.42,-3.68,;-9.75,-2.91,;-8.42,-5.22,;-7.09,-4.45,;-4.42,3.25,)| Show InChI InChI=1S/C27H35N7O5S/c1-19(35)39-18-26(36)33-16-14-32(15-17-33)23-4-3-5-24-22(23)11-13-34(24)25-10-12-28-27(30-25)29-20-6-8-21(9-7-20)31-40(2,37)38/h3-5,10-13,20-21,31H,6-9,14-18H2,1-2H3,(H,28,29,30)/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 | 74.9 | 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 | |
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