Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50175743' 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)) | BDBM50175743
(CHEMBL199316 | methyl 2-(4-(5-(2-chloro-4-fluoroph...)Show SMILES COC(=O)C(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(5.53,-14.57,;4.19,-13.8,;2.86,-14.57,;2.86,-16.11,;1.53,-13.8,;1.53,-12.26,;.19,-14.57,;.19,-16.12,;-1.14,-16.88,;-2.48,-16.12,;-2.48,-14.58,;-1.14,-13.81,;-3.81,-16.89,;-3.8,-18.44,;-5.14,-19.21,;-5.14,-20.75,;-6.47,-21.52,;-6.48,-23.06,;-5.14,-23.83,;-5.14,-25.37,;-3.8,-23.05,;-3.81,-21.52,;-2.48,-20.74,;-6.48,-18.44,;-7.8,-19.22,;-9.14,-18.44,;-9.14,-16.9,;-10.48,-16.13,;-7.81,-16.13,;-7.8,-14.6,;-9.13,-13.83,;-10.47,-14.6,;-9.14,-12.3,;-7.8,-11.52,;-6.47,-12.29,;-6.47,-13.83,;-5.14,-14.6,;-6.48,-16.9,;-5.14,-16.13,)| Show InChI InChI=1S/C30H26Cl3FN2O3/c1-17(30(38)39-2)35-12-10-18(11-13-35)19-14-23(21-7-6-20(34)16-26(21)33)22-8-9-28(37)36(27(22)15-19)29-24(31)4-3-5-25(29)32/h3-9,14-18H,10-13H2,1-2H3 | 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 | 1.30 | 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)) | BDBM50175743
(CHEMBL199316 | methyl 2-(4-(5-(2-chloro-4-fluoroph...)Show SMILES COC(=O)C(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(5.53,-14.57,;4.19,-13.8,;2.86,-14.57,;2.86,-16.11,;1.53,-13.8,;1.53,-12.26,;.19,-14.57,;.19,-16.12,;-1.14,-16.88,;-2.48,-16.12,;-2.48,-14.58,;-1.14,-13.81,;-3.81,-16.89,;-3.8,-18.44,;-5.14,-19.21,;-5.14,-20.75,;-6.47,-21.52,;-6.48,-23.06,;-5.14,-23.83,;-5.14,-25.37,;-3.8,-23.05,;-3.81,-21.52,;-2.48,-20.74,;-6.48,-18.44,;-7.8,-19.22,;-9.14,-18.44,;-9.14,-16.9,;-10.48,-16.13,;-7.81,-16.13,;-7.8,-14.6,;-9.13,-13.83,;-10.47,-14.6,;-9.14,-12.3,;-7.8,-11.52,;-6.47,-12.29,;-6.47,-13.83,;-5.14,-14.6,;-6.48,-16.9,;-5.14,-16.13,)| Show InChI InChI=1S/C30H26Cl3FN2O3/c1-17(30(38)39-2)35-12-10-18(11-13-35)19-14-23(21-7-6-20(34)16-26(21)33)22-8-9-28(37)36(27(22)15-19)29-24(31)4-3-5-25(29)32/h3-9,14-18H,10-13H2,1-2H3 | 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 | 8.10 | 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)) | BDBM50175743
(CHEMBL199316 | methyl 2-(4-(5-(2-chloro-4-fluoroph...)Show SMILES COC(=O)C(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(5.53,-14.57,;4.19,-13.8,;2.86,-14.57,;2.86,-16.11,;1.53,-13.8,;1.53,-12.26,;.19,-14.57,;.19,-16.12,;-1.14,-16.88,;-2.48,-16.12,;-2.48,-14.58,;-1.14,-13.81,;-3.81,-16.89,;-3.8,-18.44,;-5.14,-19.21,;-5.14,-20.75,;-6.47,-21.52,;-6.48,-23.06,;-5.14,-23.83,;-5.14,-25.37,;-3.8,-23.05,;-3.81,-21.52,;-2.48,-20.74,;-6.48,-18.44,;-7.8,-19.22,;-9.14,-18.44,;-9.14,-16.9,;-10.48,-16.13,;-7.81,-16.13,;-7.8,-14.6,;-9.13,-13.83,;-10.47,-14.6,;-9.14,-12.3,;-7.8,-11.52,;-6.47,-12.29,;-6.47,-13.83,;-5.14,-14.6,;-6.48,-16.9,;-5.14,-16.13,)| Show InChI InChI=1S/C30H26Cl3FN2O3/c1-17(30(38)39-2)35-12-10-18(11-13-35)19-14-23(21-7-6-20(34)16-26(21)33)22-8-9-28(37)36(27(22)15-19)29-24(31)4-3-5-25(29)32/h3-9,14-18H,10-13H2,1-2H3 | 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 | 28 | 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 | |