Found 2 hits in this display 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)) | BDBM50364382
(CHEMBL1950293)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1 |r,wU:21.21,24.28,(-4.33,-32.66,;-2.79,-32.66,;-2.03,-31.32,;-2.02,-33.99,;-.48,-33.98,;.28,-32.66,;1.82,-32.65,;2.59,-33.98,;4.09,-34.29,;4.25,-35.81,;5.59,-36.58,;6.92,-35.8,;6.91,-34.28,;5.57,-33.52,;8.23,-33.5,;9.58,-34.26,;10.91,-33.49,;9.58,-35.8,;8.25,-36.58,;8.25,-38.12,;2.86,-36.44,;2.11,-37.78,;.57,-37.81,;-.17,-39.15,;.62,-40.47,;2.16,-40.45,;2.91,-39.1,;-.13,-41.82,;.66,-43.14,;-1.67,-41.84,;-2.46,-40.52,;-3.99,-40.54,;-4.75,-41.89,;-3.96,-43.21,;-2.42,-43.19,;1.83,-35.31,;.29,-35.31,)| Show InChI InChI=1S/C25H30F3N7O2/c1-14(2)30-24-29-13-20-22(33-24)35(25(31-20)32-21-18(27)11-16(26)12-19(21)28)17-5-3-15(4-6-17)23(36)34-7-9-37-10-8-34/h11-15,17H,3-10H2,1-2H3,(H,31,32)(H,29,30,33)/t15-,17+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364382
(CHEMBL1950293)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1 |r,wU:21.21,24.28,(-4.33,-32.66,;-2.79,-32.66,;-2.03,-31.32,;-2.02,-33.99,;-.48,-33.98,;.28,-32.66,;1.82,-32.65,;2.59,-33.98,;4.09,-34.29,;4.25,-35.81,;5.59,-36.58,;6.92,-35.8,;6.91,-34.28,;5.57,-33.52,;8.23,-33.5,;9.58,-34.26,;10.91,-33.49,;9.58,-35.8,;8.25,-36.58,;8.25,-38.12,;2.86,-36.44,;2.11,-37.78,;.57,-37.81,;-.17,-39.15,;.62,-40.47,;2.16,-40.45,;2.91,-39.1,;-.13,-41.82,;.66,-43.14,;-1.67,-41.84,;-2.46,-40.52,;-3.99,-40.54,;-4.75,-41.89,;-3.96,-43.21,;-2.42,-43.19,;1.83,-35.31,;.29,-35.31,)| Show InChI InChI=1S/C25H30F3N7O2/c1-14(2)30-24-29-13-20-22(33-24)35(25(31-20)32-21-18(27)11-16(26)12-19(21)28)17-5-3-15(4-6-17)23(36)34-7-9-37-10-8-34/h11-15,17H,3-10H2,1-2H3,(H,31,32)(H,29,30,33)/t15-,17+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |