Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50175753' 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)) | BDBM50175753
((2R)-2-(4-(5-(2-chloro-4-fluorophenyl)-1-(2,6-dich...)Show SMILES C[C@@H](N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)C(O)=O |wD:1.0,(2.98,-33.84,;2.98,-35.38,;1.65,-36.15,;1.65,-37.69,;.32,-38.46,;-1.02,-37.69,;-1.03,-36.15,;.31,-35.38,;-2.35,-38.46,;-2.35,-40.01,;-3.69,-40.79,;-3.68,-42.32,;-5.02,-43.09,;-5.02,-44.63,;-3.69,-45.4,;-3.69,-46.94,;-2.35,-44.62,;-2.35,-43.09,;-1.02,-42.31,;-5.02,-40.02,;-6.35,-40.79,;-7.69,-40.02,;-7.69,-38.47,;-9.02,-37.7,;-6.35,-37.7,;-6.35,-36.17,;-7.68,-35.4,;-9.01,-36.18,;-7.68,-33.87,;-6.34,-33.09,;-5.01,-33.86,;-5.01,-35.4,;-3.68,-36.18,;-5.02,-38.47,;-3.69,-37.7,;4.31,-36.15,;5.65,-35.38,;4.31,-37.69,)| Show InChI InChI=1S/C29H24Cl3FN2O3/c1-16(29(37)38)34-11-9-17(10-12-34)18-13-22(20-6-5-19(33)15-25(20)32)21-7-8-27(36)35(26(21)14-18)28-23(30)3-2-4-24(28)31/h2-8,13-17H,9-12H2,1H3,(H,37,38)/t16-/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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK |
Bioorg Med Chem Lett 16: 64-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.065
BindingDB Entry DOI: 10.7270/Q2TT4QH8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50175753
((2R)-2-(4-(5-(2-chloro-4-fluorophenyl)-1-(2,6-dich...)Show SMILES C[C@@H](N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)C(O)=O |wD:1.0,(2.98,-33.84,;2.98,-35.38,;1.65,-36.15,;1.65,-37.69,;.32,-38.46,;-1.02,-37.69,;-1.03,-36.15,;.31,-35.38,;-2.35,-38.46,;-2.35,-40.01,;-3.69,-40.79,;-3.68,-42.32,;-5.02,-43.09,;-5.02,-44.63,;-3.69,-45.4,;-3.69,-46.94,;-2.35,-44.62,;-2.35,-43.09,;-1.02,-42.31,;-5.02,-40.02,;-6.35,-40.79,;-7.69,-40.02,;-7.69,-38.47,;-9.02,-37.7,;-6.35,-37.7,;-6.35,-36.17,;-7.68,-35.4,;-9.01,-36.18,;-7.68,-33.87,;-6.34,-33.09,;-5.01,-33.86,;-5.01,-35.4,;-3.68,-36.18,;-5.02,-38.47,;-3.69,-37.7,;4.31,-36.15,;5.65,-35.38,;4.31,-37.69,)| Show InChI InChI=1S/C29H24Cl3FN2O3/c1-16(29(37)38)34-11-9-17(10-12-34)18-13-22(20-6-5-19(33)15-25(20)32)21-7-8-27(36)35(26(21)14-18)28-23(30)3-2-4-24(28)31/h2-8,13-17H,9-12H2,1H3,(H,37,38)/t16-/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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of TNF alpha release in THP1 cells |
Bioorg Med Chem Lett 16: 64-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.065
BindingDB Entry DOI: 10.7270/Q2TT4QH8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50175753
((2R)-2-(4-(5-(2-chloro-4-fluorophenyl)-1-(2,6-dich...)Show SMILES C[C@@H](N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)C(O)=O |wD:1.0,(2.98,-33.84,;2.98,-35.38,;1.65,-36.15,;1.65,-37.69,;.32,-38.46,;-1.02,-37.69,;-1.03,-36.15,;.31,-35.38,;-2.35,-38.46,;-2.35,-40.01,;-3.69,-40.79,;-3.68,-42.32,;-5.02,-43.09,;-5.02,-44.63,;-3.69,-45.4,;-3.69,-46.94,;-2.35,-44.62,;-2.35,-43.09,;-1.02,-42.31,;-5.02,-40.02,;-6.35,-40.79,;-7.69,-40.02,;-7.69,-38.47,;-9.02,-37.7,;-6.35,-37.7,;-6.35,-36.17,;-7.68,-35.4,;-9.01,-36.18,;-7.68,-33.87,;-6.34,-33.09,;-5.01,-33.86,;-5.01,-35.4,;-3.68,-36.18,;-5.02,-38.47,;-3.69,-37.7,;4.31,-36.15,;5.65,-35.38,;4.31,-37.69,)| Show InChI InChI=1S/C29H24Cl3FN2O3/c1-16(29(37)38)34-11-9-17(10-12-34)18-13-22(20-6-5-19(33)15-25(20)32)21-7-8-27(36)35(26(21)14-18)28-23(30)3-2-4-24(28)31/h2-8,13-17H,9-12H2,1H3,(H,37,38)/t16-/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of LPS stimulated TNF alpha release in whole blood |
Bioorg Med Chem Lett 16: 64-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.065
BindingDB Entry DOI: 10.7270/Q2TT4QH8 |
More data for this
Ligand-Target Pair | |
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