Found 2 hits for monomerid = 50392990 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)) | BDBM50392990
(CHEMBL2152390)Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2ccc(C)nc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(1.04,-20.36,;-.3,-19.58,;-.29,-18.04,;1.04,-17.28,;-1.62,-17.27,;-1.62,-15.72,;-.28,-14.95,;-.29,-13.41,;1.04,-12.64,;1.04,-11.1,;-.3,-10.34,;-1.63,-11.12,;-1.62,-12.65,;-.3,-8.8,;1.03,-8.02,;-1.64,-8.03,;-1.64,-6.49,;-2.98,-5.73,;-2.98,-4.19,;-1.65,-3.42,;-1.65,-1.88,;-.31,-4.19,;-.31,-5.72,;-2.97,-14.93,;-2.97,-13.39,;-4.31,-15.71,;-5.64,-14.95,;-6.97,-15.72,;-6.97,-17.26,;-8.31,-18.03,;-5.64,-18.03,;-4.31,-17.27,;-2.97,-18.04,;-2.97,-19.57,;-4.31,-20.34,;-4.32,-21.88,;-2.98,-22.65,;-1.64,-21.88,;-1.65,-20.34,)| Show InChI InChI=1S/C31H31N3O5/c1-19-8-17-25-28(36)26(27(31(38)39-2)34(29(25)32-19)23-6-4-3-5-7-23)18-20-9-11-21(12-10-20)30(37)33-22-13-15-24(35)16-14-22/h3-12,17,22,24,35H,13-16,18H2,1-2H3,(H,33,37)/t22-,24- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay |
ACS Med Chem Lett 3: 764-768 (2012)
Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50392990
(CHEMBL2152390)Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2ccc(C)nc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(1.04,-20.36,;-.3,-19.58,;-.29,-18.04,;1.04,-17.28,;-1.62,-17.27,;-1.62,-15.72,;-.28,-14.95,;-.29,-13.41,;1.04,-12.64,;1.04,-11.1,;-.3,-10.34,;-1.63,-11.12,;-1.62,-12.65,;-.3,-8.8,;1.03,-8.02,;-1.64,-8.03,;-1.64,-6.49,;-2.98,-5.73,;-2.98,-4.19,;-1.65,-3.42,;-1.65,-1.88,;-.31,-4.19,;-.31,-5.72,;-2.97,-14.93,;-2.97,-13.39,;-4.31,-15.71,;-5.64,-14.95,;-6.97,-15.72,;-6.97,-17.26,;-8.31,-18.03,;-5.64,-18.03,;-4.31,-17.27,;-2.97,-18.04,;-2.97,-19.57,;-4.31,-20.34,;-4.32,-21.88,;-2.98,-22.65,;-1.64,-21.88,;-1.65,-20.34,)| Show InChI InChI=1S/C31H31N3O5/c1-19-8-17-25-28(36)26(27(31(38)39-2)34(29(25)32-19)23-6-4-3-5-7-23)18-20-9-11-21(12-10-20)30(37)33-22-13-15-24(35)16-14-22/h3-12,17,22,24,35H,13-16,18H2,1-2H3,(H,33,37)/t22-,24- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay |
ACS Med Chem Lett 3: 764-768 (2012)
Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8 |
More data for this Ligand-Target Pair | |