Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50375789' 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 14
(Homo sapiens (Human)) | BDBM50375789
(CHEMBL256421)Show SMILES Clc1ccccc1-c1cc(OCCNC(=O)[C@H]2CCCN2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |wD:16.16,(1.2,-29.61,;-.13,-30.38,;-.13,-31.92,;-1.47,-32.7,;-2.8,-31.92,;-2.8,-30.38,;-1.46,-29.62,;-1.46,-28.08,;-.13,-27.31,;-.14,-25.76,;1.2,-24.99,;2.53,-25.76,;3.87,-24.98,;5.21,-25.74,;5.18,-27.28,;3.78,-28.04,;6.49,-28.06,;6.63,-29.6,;8.08,-29.93,;8.9,-28.6,;7.9,-27.45,;-1.47,-25,;-2.79,-25.77,;-4.12,-24.99,;-4.12,-23.45,;-5.44,-22.68,;-6.78,-23.45,;-5.45,-21.14,;-4.11,-20.37,;-2.77,-21.14,;-2.77,-22.68,;-1.44,-23.45,;-5.45,-25.77,;-6.79,-25,;-5.45,-27.31,;-4.12,-28.07,;-2.79,-27.31,)| Show InChI InChI=1S/C28H24Cl3N3O3/c29-21-6-2-1-5-18(21)20-15-17(37-14-13-33-28(36)24-9-4-12-32-24)16-25-19(20)10-11-26(35)34(25)27-22(30)7-3-8-23(27)31/h1-3,5-8,10-11,15-16,24,32H,4,9,12-14H2,(H,33,36)/t24-/m1/s1 | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375789
(CHEMBL256421)Show SMILES Clc1ccccc1-c1cc(OCCNC(=O)[C@H]2CCCN2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |wD:16.16,(1.2,-29.61,;-.13,-30.38,;-.13,-31.92,;-1.47,-32.7,;-2.8,-31.92,;-2.8,-30.38,;-1.46,-29.62,;-1.46,-28.08,;-.13,-27.31,;-.14,-25.76,;1.2,-24.99,;2.53,-25.76,;3.87,-24.98,;5.21,-25.74,;5.18,-27.28,;3.78,-28.04,;6.49,-28.06,;6.63,-29.6,;8.08,-29.93,;8.9,-28.6,;7.9,-27.45,;-1.47,-25,;-2.79,-25.77,;-4.12,-24.99,;-4.12,-23.45,;-5.44,-22.68,;-6.78,-23.45,;-5.45,-21.14,;-4.11,-20.37,;-2.77,-21.14,;-2.77,-22.68,;-1.44,-23.45,;-5.45,-25.77,;-6.79,-25,;-5.45,-27.31,;-4.12,-28.07,;-2.79,-27.31,)| Show InChI InChI=1S/C28H24Cl3N3O3/c29-21-6-2-1-5-18(21)20-15-17(37-14-13-33-28(36)24-9-4-12-32-24)16-25-19(20)10-11-26(35)34(25)27-22(30)7-3-8-23(27)31/h1-3,5-8,10-11,15-16,24,32H,4,9,12-14H2,(H,33,36)/t24-/m1/s1 | 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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-alpha by whole blood assay |
Bioorg Med Chem Lett 18: 2222-6 (2008)
Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36 |
More data for this
Ligand-Target Pair | |
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