Found 223 hits with Last Name = 'chen' and Initial = 'mh' 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM15241
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(p...)Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1 Show InChI InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK-499 from human ERG in HEK293 cells |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50194461
(7-amino-5-(2,4-difluorophenyl)-1-(2,6-difluorophen...)Show SMILES Nc1cc2n(-c3c(F)cccc3F)c(=O)ccc2c(n1)-c1ccc(F)cc1F |(15,-16.28,;13.66,-17.04,;12.34,-16.27,;11.01,-17.03,;9.67,-16.27,;9.67,-14.73,;11.01,-13.96,;12.35,-14.72,;11.01,-12.4,;9.67,-11.64,;8.34,-12.41,;8.34,-13.96,;7,-14.73,;8.34,-17.03,;7.01,-16.26,;8.34,-18.57,;9.67,-19.35,;11,-18.57,;12.32,-19.35,;13.66,-18.59,;12.31,-20.89,;10.97,-21.64,;10.96,-23.18,;12.29,-23.96,;12.28,-25.51,;13.63,-23.19,;13.64,-21.66,;14.97,-20.89,)| Show InChI InChI=1S/C20H11F4N3O/c21-10-4-5-11(15(24)8-10)19-12-6-7-18(28)27(16(12)9-17(25)26-19)20-13(22)2-1-3-14(20)23/h1-9H,(H2,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK-499 from human ERG in HEK293 cells |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50317587
(6-(2,4-difluorophenyl)-1-(2-fluoro-5-(1,3,4-oxadia...)Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3cc(ccc3F)-c3nnco3)c(=O)ccn12 |(12.42,-9.58,;12.42,-8.04,;11.08,-7.27,;11.09,-5.73,;12.43,-4.96,;13.76,-5.73,;15.09,-4.95,;13.76,-7.26,;12.43,-3.42,;13.76,-2.65,;13.75,-1.11,;12.42,-.35,;11.1,-1.11,;9.77,-.33,;9.77,1.21,;11.11,1.97,;11.11,3.51,;9.77,4.29,;8.43,3.51,;8.44,1.97,;7.11,1.2,;12.44,4.28,;13.91,3.83,;14.8,5.09,;13.87,6.32,;12.42,5.83,;8.44,-1.11,;7.1,-.35,;8.44,-2.65,;9.77,-3.42,;11.1,-2.65,)| Show InChI InChI=1S/C23H12F3N3O2/c24-14-5-6-15(18(26)11-14)19-2-1-3-20-22(21(30)8-9-29(19)20)16-10-13(4-7-17(16)25)23-28-27-12-31-23/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK-499 from human ERG in HEK293 cells |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50317579
(6-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-2H-q...)Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cccc3F)c(=O)ccn12 |(29.65,-6.7,;29.65,-5.16,;28.31,-4.39,;28.31,-2.85,;29.65,-2.08,;30.98,-2.84,;32.31,-2.07,;30.99,-4.38,;29.65,-.54,;30.98,.23,;30.98,1.77,;29.65,2.53,;28.33,1.77,;27,2.55,;27,4.09,;28.33,4.85,;29.67,4.08,;28.33,6.39,;27,7.17,;25.66,6.39,;25.67,4.85,;24.33,4.08,;25.67,1.77,;24.33,2.53,;25.67,.23,;27,-.54,;28.32,.23,)| Show InChI InChI=1S/C21H11F4NO/c22-12-7-8-13(16(25)11-12)17-5-2-6-18-21(19(27)9-10-26(17)18)20-14(23)3-1-4-15(20)24/h1-11H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK-499 from human ERG in HEK293 cells |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50317588
(6-(2,4-difluorophenyl)-1-(2-fluoro-5-(5-methyl-1,3...)Show SMILES Cc1nnc(o1)-c1ccc(F)c(c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(31.09,6.57,;30.64,5.09,;31.57,3.86,;30.68,2.6,;29.21,3.05,;29.18,4.59,;27.88,2.28,;26.54,3.06,;25.2,2.28,;25.21,.74,;23.87,-.03,;26.54,-.02,;27.87,.74,;26.54,-1.56,;27.87,-2.34,;29.19,-1.58,;30.52,-2.34,;30.52,-3.88,;29.19,-4.65,;29.19,-6.19,;27.85,-6.96,;27.85,-8.5,;29.19,-9.27,;29.19,-10.81,;30.53,-8.49,;30.52,-6.95,;31.85,-6.18,;27.86,-3.88,;26.54,-4.65,;25.21,-3.88,;25.21,-2.34,;23.87,-1.58,)| Show InChI InChI=1S/C24H14F3N3O2/c1-13-28-29-24(32-13)14-5-8-18(26)17(11-14)23-21-4-2-3-20(30(21)10-9-22(23)31)16-7-6-15(25)12-19(16)27/h2-12H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of labeled MK-499 from human ERG in HEK293 cells |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Synaptic vesicle glycoprotein 2A
(Homo sapiens) | BDBM50592916
(CHEMBL5206486) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00534 BindingDB Entry DOI: 10.7270/Q2BK1HC3 |
More data for this Ligand-Target Pair | |
Synaptic vesicle glycoprotein 2A
(Homo sapiens) | BDBM50592917
(CHEMBL5185567) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00534 BindingDB Entry DOI: 10.7270/Q2BK1HC3 |
More data for this Ligand-Target Pair | |
Synaptic vesicle glycoprotein 2A
(Mus musculus) | BDBM50592916
(CHEMBL5206486) | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00534 BindingDB Entry DOI: 10.7270/Q2BK1HC3 |
More data for this Ligand-Target Pair | |
Synaptic vesicle glycoprotein 2A
(Mus musculus) | BDBM50592917
(CHEMBL5185567) | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00534 BindingDB Entry DOI: 10.7270/Q2BK1HC3 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375790
(CHEMBL270004)Show SMILES CC(C)(N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(6.02,.44,;5.14,-.82,;4.29,-2.11,;6.4,-1.7,;3.86,.05,;2.61,-.87,;3.82,1.59,;2.48,2.33,;1.15,1.54,;-.19,2.29,;-1.51,1.49,;-1.49,-.05,;-2.81,-.83,;-2.79,-2.37,;-4.12,-3.16,;-4.1,-4.7,;-2.75,-5.45,;-1.42,-4.66,;-1.45,-3.12,;-.13,-2.33,;-4.15,-.08,;-5.46,-.87,;-6.8,-.12,;-6.82,1.42,;-8.17,2.17,;-5.5,2.21,;-5.52,3.75,;-6.86,4.5,;-8.18,3.71,;-6.88,6.04,;-5.56,6.83,;-4.21,6.08,;-4.19,4.54,;-2.85,3.79,;-4.16,1.45,;-2.85,2.24,)| Show InChI InChI=1S/C27H24Cl3N3O3/c1-27(2,31)26(35)32-12-13-36-16-14-19(17-6-3-4-7-20(17)28)18-10-11-24(34)33(23(18)15-16)25-21(29)8-5-9-22(25)30/h3-11,14-15H,12-13,31H2,1-2H3,(H,32,35) | 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 | 0.120 | 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)) | BDBM50375797
(CHEMBL269792)Show SMILES C[C@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |wU:1.1,(30.05,-2.81,;29.98,-1.26,;31.21,-.38,;28.7,-.38,;27.45,-1.31,;28.66,1.16,;27.32,1.9,;25.99,1.11,;24.65,1.86,;23.33,1.07,;23.35,-.48,;22.03,-1.26,;22.05,-2.8,;20.72,-3.59,;20.74,-5.13,;22.09,-5.88,;23.42,-5.09,;23.39,-3.55,;24.71,-2.76,;20.69,-.51,;19.37,-1.3,;18.03,-.55,;18.01,.99,;16.67,1.74,;19.33,1.79,;19.31,3.33,;17.98,4.08,;16.65,3.29,;17.95,5.61,;19.28,6.41,;20.63,5.66,;20.65,4.12,;21.99,3.36,;20.67,1.03,;21.99,1.81,)| Show InChI InChI=1S/C26H22Cl3N3O3/c1-15(30)26(34)31-11-12-35-16-13-19(17-5-2-3-6-20(17)27)18-9-10-24(33)32(23(18)14-16)25-21(28)7-4-8-22(25)29/h2-10,13-15H,11-12,30H2,1H3,(H,31,34)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.160 | 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)) | BDBM50375796
(CHEMBL255403)Show SMILES C[C@@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |wD:1.1,(6.2,-17.24,;6.13,-15.68,;7.35,-14.8,;4.85,-14.8,;3.6,-15.73,;4.81,-13.26,;3.47,-12.52,;2.14,-13.31,;.8,-12.56,;-.53,-13.36,;-.5,-14.9,;-1.82,-15.69,;-1.8,-17.22,;-3.13,-18.01,;-3.11,-19.55,;-1.76,-20.31,;-.44,-19.51,;-.46,-17.97,;.86,-17.18,;-3.16,-14.94,;-4.48,-15.72,;-5.82,-14.98,;-5.84,-13.43,;-7.19,-12.69,;-4.52,-12.64,;-4.54,-11.1,;-5.87,-10.35,;-7.2,-11.14,;-5.9,-8.81,;-4.57,-8.02,;-3.23,-8.77,;-3.2,-10.31,;-1.86,-11.06,;-3.18,-13.4,;-1.86,-12.61,)| Show InChI InChI=1S/C26H22Cl3N3O3/c1-15(30)26(34)31-11-12-35-16-13-19(17-5-2-3-6-20(17)27)18-9-10-24(33)32(23(18)14-16)25-21(28)7-4-8-22(25)29/h2-10,13-15H,11-12,30H2,1H3,(H,31,34)/t15-/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 | 0.200 | 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)) | BDBM50375798
(CHEMBL437024)Show SMILES NCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(7.26,-41.02,;5.95,-41.95,;4.71,-41.09,;3.48,-41.96,;4.7,-39.54,;3.36,-38.78,;2.03,-39.56,;.69,-38.79,;-.64,-39.57,;-.64,-41.11,;-1.97,-41.88,;-1.97,-43.42,;-3.31,-44.19,;-3.31,-45.73,;-1.98,-46.5,;-.64,-45.72,;-.64,-44.18,;.69,-43.41,;-3.3,-41.11,;-4.63,-41.88,;-5.96,-41.11,;-5.96,-39.57,;-7.29,-38.81,;-4.63,-38.79,;-4.63,-37.25,;-5.95,-36.48,;-7.28,-37.26,;-5.95,-34.95,;-4.62,-34.17,;-3.28,-34.94,;-3.28,-36.48,;-1.95,-37.25,;-3.3,-39.57,;-1.97,-38.81,)| Show InChI InChI=1S/C25H20Cl3N3O3/c26-19-5-2-1-4-16(19)18-12-15(34-11-10-30-23(32)14-29)13-22-17(18)8-9-24(33)31(22)25-20(27)6-3-7-21(25)28/h1-9,12-13H,10-11,14,29H2,(H,30,32) | 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 | 0.300 | 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
(Mus musculus (mouse)) | BDBM50421140
(CHEMBL2088591)Show SMILES COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)-c1nnc(C)o1 |(33.77,-46.54,;35.1,-47.32,;36.43,-46.55,;36.44,-45,;37.77,-44.23,;39.1,-45,;39.11,-46.55,;37.77,-47.32,;37.77,-48.85,;39.1,-49.62,;40.42,-48.85,;41.75,-49.61,;41.75,-51.14,;43.09,-51.91,;43.1,-53.45,;41.76,-54.22,;41.77,-55.76,;43.1,-56.53,;43.11,-58.07,;44.44,-55.74,;44.43,-54.21,;45.76,-53.43,;40.43,-51.91,;39.1,-51.15,;37.77,-51.93,;36.43,-51.16,;36.43,-49.62,;35.1,-48.85,;40.36,-44.1,;41.82,-44.58,;42.73,-43.34,;41.83,-42.09,;42.31,-40.63,;40.36,-42.56,)| Show InChI InChI=1S/C24H16F2N4O4/c1-13-27-28-24(33-13)14-3-6-20(32-2)16(11-14)23-18-5-8-22(29-30(18)10-9-19(23)31)34-21-7-4-15(25)12-17(21)26/h3-12H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375788
(CHEMBL257697)Show SMILES NC(CO)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |w:1.0,(30.03,-41.17,;28.7,-41.95,;28.71,-43.49,;30.05,-44.25,;27.36,-41.18,;26.03,-41.96,;27.35,-39.63,;26.01,-38.88,;24.67,-39.65,;23.34,-38.88,;22,-39.66,;22.01,-41.2,;20.68,-41.97,;20.68,-43.51,;19.34,-44.28,;19.34,-45.82,;20.67,-46.59,;22.01,-45.81,;22.01,-44.28,;23.34,-43.5,;19.35,-41.2,;18.02,-41.97,;16.69,-41.21,;16.69,-39.66,;15.35,-38.9,;18.02,-38.89,;18.02,-37.34,;16.7,-36.58,;15.36,-37.35,;16.69,-35.04,;18.03,-34.26,;19.37,-35.03,;19.37,-36.57,;20.7,-37.34,;19.35,-39.66,;20.68,-38.9,)| Show InChI InChI=1S/C26H22Cl3N3O4/c27-19-5-2-1-4-16(19)18-12-15(36-11-10-31-26(35)22(30)14-33)13-23-17(18)8-9-24(34)32(23)25-20(28)6-3-7-21(25)29/h1-9,12-13,22,33H,10-11,14,30H2,(H,31,35) | 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 | 0.5 | 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)) | BDBM50375795
(CHEMBL403389)Show SMILES NCCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(28.21,-17.45,;26.85,-16.74,;26.79,-15.19,;25.5,-14.3,;24.25,-15.23,;25.47,-12.76,;24.12,-12.02,;22.8,-12.81,;21.45,-12.07,;20.13,-12.86,;20.15,-14.4,;18.83,-15.19,;18.85,-16.73,;17.52,-17.51,;17.54,-19.05,;18.89,-19.81,;20.22,-19.01,;20.19,-17.48,;21.51,-16.68,;17.49,-14.44,;16.18,-15.22,;14.83,-14.48,;14.81,-12.94,;13.47,-12.19,;16.13,-12.14,;16.11,-10.6,;14.78,-9.85,;13.46,-10.64,;14.75,-8.31,;16.08,-7.52,;17.43,-8.27,;17.45,-9.81,;18.79,-10.56,;17.47,-12.9,;18.79,-12.12,)| Show InChI InChI=1S/C26H22Cl3N3O3/c27-20-5-2-1-4-17(20)19-14-16(35-13-12-31-24(33)10-11-30)15-23-18(19)8-9-25(34)32(23)26-21(28)6-3-7-22(26)29/h1-9,14-15H,10-13,30H2,(H,31,33) | 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 | 0.570 | 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
(Mus musculus (mouse)) | BDBM50421137
(CHEMBL2088588)Show SMILES COC(=O)c1ccc(OC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(7.25,-42.41,;5.92,-43.19,;4.58,-42.42,;4.58,-40.88,;3.25,-43.2,;1.92,-42.43,;.59,-43.21,;.59,-44.75,;-.75,-45.52,;-2.08,-44.75,;1.92,-45.52,;3.26,-44.75,;1.92,-47.06,;3.25,-47.82,;4.57,-47.05,;5.9,-47.81,;5.91,-49.35,;7.24,-50.11,;7.25,-51.65,;5.91,-52.42,;5.92,-53.96,;7.26,-54.73,;7.26,-56.27,;8.59,-53.95,;8.58,-52.41,;9.91,-51.63,;4.58,-50.12,;3.25,-49.35,;1.92,-50.14,;.59,-49.36,;.59,-47.83,;-.75,-47.05,)| Show InChI InChI=1S/C23H16F2N2O5/c1-30-19-6-3-13(23(29)31-2)11-15(19)22-17-5-8-21(26-27(17)10-9-18(22)28)32-20-7-4-14(24)12-16(20)25/h3-12H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50421141
(CHEMBL2088578)Show SMILES COC(=O)c1ccc(C=C)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(46,-11.48,;44.67,-12.26,;43.33,-11.49,;43.33,-9.95,;42,-12.27,;40.67,-11.5,;39.34,-12.27,;39.34,-13.82,;38,-14.59,;36.67,-13.82,;40.67,-14.59,;42.01,-13.82,;40.67,-16.12,;42,-16.89,;43.32,-16.12,;44.65,-16.88,;44.65,-18.42,;45.99,-19.18,;46,-20.72,;44.66,-21.49,;44.67,-23.03,;46.01,-23.8,;46.01,-25.34,;47.34,-23.01,;47.33,-21.48,;48.66,-20.7,;43.33,-19.18,;42,-18.42,;40.67,-19.2,;39.33,-18.43,;39.34,-16.89,;38,-16.12,)| Show InChI InChI=1S/C24H16F2N2O4/c1-3-14-4-5-15(24(30)31-2)12-17(14)23-19-7-9-22(27-28(19)11-10-20(23)29)32-21-8-6-16(25)13-18(21)26/h3-13H,1H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50194461
(7-amino-5-(2,4-difluorophenyl)-1-(2,6-difluorophen...)Show SMILES Nc1cc2n(-c3c(F)cccc3F)c(=O)ccc2c(n1)-c1ccc(F)cc1F |(15,-16.28,;13.66,-17.04,;12.34,-16.27,;11.01,-17.03,;9.67,-16.27,;9.67,-14.73,;11.01,-13.96,;12.35,-14.72,;11.01,-12.4,;9.67,-11.64,;8.34,-12.41,;8.34,-13.96,;7,-14.73,;8.34,-17.03,;7.01,-16.26,;8.34,-18.57,;9.67,-19.35,;11,-18.57,;12.32,-19.35,;13.66,-18.59,;12.31,-20.89,;10.97,-21.64,;10.96,-23.18,;12.29,-23.96,;12.28,-25.51,;13.63,-23.19,;13.64,-21.66,;14.97,-20.89,)| Show InChI InChI=1S/C20H11F4N3O/c21-10-4-5-11(15(24)8-10)19-12-6-7-18(28)27(16(12)9-17(25)26-19)20-13(22)2-1-3-14(20)23/h1-9H,(H2,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38alpha after 3 hrs by SPA method |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375792
(CHEMBL257236)Show SMILES Oc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(-.42,-39.44,;-1.76,-40.22,;-1.75,-41.76,;-3.08,-42.53,;-3.08,-44.07,;-4.42,-44.84,;-4.42,-46.38,;-3.09,-47.15,;-1.75,-46.37,;-1.75,-44.83,;-.42,-44.06,;-4.41,-41.76,;-5.74,-42.53,;-7.07,-41.76,;-7.07,-40.22,;-8.41,-39.45,;-5.74,-39.44,;-5.74,-37.9,;-7.06,-37.13,;-8.4,-37.9,;-7.07,-35.59,;-5.73,-34.82,;-4.39,-35.59,;-4.39,-37.13,;-3.06,-37.9,;-4.41,-40.22,;-3.09,-39.45,)| Show InChI InChI=1S/C21H12Cl3NO2/c22-16-5-2-1-4-13(16)15-10-12(26)11-19-14(15)8-9-20(27)25(19)21-17(23)6-3-7-18(21)24/h1-11,26H | 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 | 0.700 | 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)) | BDBM50375794
(CHEMBL409901)Show SMILES Clc1ccccc1-c1cc(OCCNC(=O)[C@@H]2CCCN2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |wU:16.16,(24.63,-15.07,;23.3,-15.85,;23.3,-17.38,;21.96,-18.16,;20.63,-17.39,;20.63,-15.85,;21.97,-15.08,;21.97,-13.54,;23.3,-12.77,;23.3,-11.23,;24.63,-10.45,;25.97,-11.22,;27.3,-10.45,;28.64,-11.21,;28.61,-12.75,;27.21,-13.5,;29.93,-13.53,;30.06,-15.07,;31.52,-15.39,;32.33,-14.07,;31.33,-12.91,;21.97,-10.47,;20.64,-11.23,;19.31,-10.46,;19.31,-8.91,;17.99,-8.15,;16.66,-8.92,;17.99,-6.61,;19.32,-5.83,;20.66,-6.6,;20.66,-8.14,;21.99,-8.92,;17.98,-11.23,;16.65,-10.47,;17.98,-12.78,;19.31,-13.54,;20.64,-12.77,)| 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-/m0/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 | 0.75 | 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 | 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
(Mus musculus (mouse)) | BDBM50421127
(CHEMBL2088582)Show SMILES COC(=O)c1ccc(F)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(41.55,3.13,;41.54,4.67,;40.21,5.43,;40.2,6.97,;38.87,4.66,;37.54,5.42,;36.21,4.65,;36.21,3.11,;34.87,2.34,;37.54,2.34,;38.88,3.11,;37.55,.8,;38.88,.04,;40.19,.8,;41.52,.05,;41.53,-1.49,;42.86,-2.26,;42.87,-3.8,;41.54,-4.57,;41.54,-6.11,;42.88,-6.87,;42.89,-8.41,;44.21,-6.09,;44.2,-4.55,;45.53,-3.78,;40.2,-2.26,;38.88,-1.5,;37.54,-2.28,;36.21,-1.51,;36.21,.03,;34.88,.8,)| Show InChI InChI=1S/C22H13F3N2O4/c1-30-22(29)12-2-4-15(24)14(10-12)21-17-5-7-20(26-27(17)9-8-18(21)28)31-19-6-3-13(23)11-16(19)25/h2-11H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375799
(CHEMBL270611)Show SMILES NC1(CC1)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(29.39,-28.26,;29.39,-26.72,;30.72,-25.94,;30.73,-27.48,;28.04,-25.99,;26.72,-26.8,;27.99,-24.45,;26.65,-23.69,;25.32,-24.47,;23.98,-23.7,;22.65,-24.48,;22.65,-26.02,;21.32,-26.79,;21.32,-28.33,;19.98,-29.1,;19.98,-30.64,;21.32,-31.41,;22.66,-30.63,;22.65,-29.09,;23.98,-28.32,;19.99,-26.02,;18.67,-26.79,;17.34,-26.02,;17.34,-24.48,;16,-23.72,;18.67,-23.7,;18.67,-22.16,;17.34,-21.39,;16.01,-22.17,;17.34,-19.86,;18.68,-19.08,;20.01,-19.85,;20.01,-21.39,;21.35,-22.16,;20,-24.48,;21.32,-23.72,)| Show InChI InChI=1S/C27H22Cl3N3O3/c28-20-5-2-1-4-17(20)19-14-16(36-13-12-32-26(35)27(31)10-11-27)15-23-18(19)8-9-24(34)33(23)25-21(29)6-3-7-22(25)30/h1-9,14-15H,10-13,31H2,(H,32,35) | 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 | 1.5 | 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
(Mus musculus (mouse)) | BDBM50317582
(CHEMBL1096830 | methyl 4-(6-(2,4-difluorophenyl)-2...)Show SMILES COC(=O)c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(27.64,-9.08,;27.64,-10.62,;26.31,-11.39,;24.97,-10.62,;26.31,-12.93,;27.65,-13.7,;27.65,-15.24,;28.98,-16.01,;26.31,-16.01,;24.98,-15.25,;23.65,-16.02,;24.97,-13.71,;26.31,-17.55,;27.64,-18.33,;28.96,-17.56,;30.29,-18.32,;30.29,-19.86,;28.96,-20.63,;28.96,-22.17,;27.62,-22.94,;27.62,-24.48,;28.96,-25.25,;28.96,-26.79,;30.29,-24.47,;30.29,-22.94,;31.62,-22.16,;27.63,-19.86,;26.31,-20.63,;24.98,-19.87,;24.98,-18.33,;23.64,-17.56,)| Show InChI InChI=1S/C23H13F4NO3/c1-31-23(30)12-9-16(26)21(17(27)10-12)22-19-4-2-3-18(28(19)8-7-20(22)29)14-6-5-13(24)11-15(14)25/h2-11H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38alpha after 3 hrs by SPA method |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50317580
(4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl...)Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cc(cc3F)C#N)c(=O)ccn12 |(-4.26,-27.22,;-4.26,-25.67,;-5.59,-24.9,;-5.59,-23.36,;-4.25,-22.59,;-2.92,-23.36,;-1.59,-22.59,;-2.92,-24.9,;-4.25,-21.05,;-2.92,-20.29,;-2.92,-18.74,;-4.25,-17.98,;-5.58,-18.75,;-6.91,-17.97,;-6.91,-16.43,;-5.57,-15.66,;-4.23,-16.43,;-5.57,-14.12,;-6.9,-13.35,;-8.24,-14.13,;-8.24,-15.66,;-9.57,-16.44,;-6.91,-11.8,;-6.91,-10.26,;-8.24,-18.75,;-9.57,-17.98,;-8.24,-20.29,;-6.91,-21.05,;-5.58,-20.29,)| Show InChI InChI=1S/C22H10F4N2O/c23-13-4-5-14(15(24)10-13)18-2-1-3-19-22(20(29)6-7-28(18)19)21-16(25)8-12(11-27)9-17(21)26/h1-10H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38alpha after 3 hrs by SPA method |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375805
(CHEMBL403925)Show SMILES COc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(13.91,-23.23,;13.92,-24.77,;12.59,-25.55,;12.59,-27.09,;11.26,-27.86,;11.26,-29.4,;9.92,-30.17,;9.92,-31.71,;11.25,-32.48,;12.59,-31.7,;12.59,-30.16,;13.92,-29.39,;9.93,-27.09,;8.6,-27.86,;7.27,-27.09,;7.27,-25.55,;5.93,-24.78,;8.6,-24.77,;8.6,-23.23,;7.28,-22.46,;5.94,-23.24,;7.27,-20.93,;8.61,-20.15,;9.95,-20.92,;9.95,-22.46,;11.28,-23.23,;9.93,-25.55,;11.26,-24.78,)| Show InChI InChI=1S/C22H14Cl3NO2/c1-28-13-11-16(14-5-2-3-6-17(14)23)15-9-10-21(27)26(20(15)12-13)22-18(24)7-4-8-19(22)25/h2-12H,1H3 | 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 | 1.5 | 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
(Mus musculus (mouse)) | BDBM50421138
(CHEMBL2088589)Show SMILES CCCNC(=O)c1ccc(OC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(20.21,-42.85,;18.88,-43.63,;17.54,-42.86,;16.21,-43.64,;14.87,-42.87,;14.87,-41.33,;13.54,-43.65,;12.21,-42.89,;10.88,-43.66,;10.88,-45.2,;9.54,-45.97,;8.21,-45.2,;12.21,-45.97,;13.55,-45.2,;12.21,-47.51,;13.54,-48.27,;14.86,-47.51,;16.19,-48.26,;16.2,-49.8,;17.53,-50.56,;17.54,-52.1,;16.2,-52.88,;16.21,-54.41,;17.55,-55.18,;17.55,-56.72,;18.88,-54.4,;18.87,-52.86,;20.2,-52.08,;14.87,-50.57,;13.54,-49.81,;12.21,-50.59,;10.88,-49.81,;10.88,-48.28,;9.54,-47.5,)| Show InChI InChI=1S/C25H21F2N3O4/c1-3-11-28-25(32)15-4-7-21(33-2)17(13-15)24-19-6-9-23(29-30(19)12-10-20(24)31)34-22-8-5-16(26)14-18(22)27/h4-10,12-14H,3,11H2,1-2H3,(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50421139
(CHEMBL2088590)Show SMILES COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)C(=O)NC1CC1 |(18.95,-46.3,;20.28,-47.07,;21.62,-46.31,;21.62,-44.76,;22.95,-43.99,;24.28,-44.75,;24.29,-46.3,;22.95,-47.08,;22.95,-48.61,;24.28,-49.38,;25.6,-48.61,;26.93,-49.36,;26.94,-50.9,;28.27,-51.67,;28.28,-53.21,;26.94,-53.98,;26.95,-55.52,;28.29,-56.29,;28.3,-57.83,;29.62,-55.5,;29.61,-53.97,;30.94,-53.19,;25.61,-51.67,;24.29,-50.91,;22.95,-51.69,;21.62,-50.92,;21.62,-49.38,;20.29,-48.61,;25.61,-43.98,;25.61,-42.44,;26.95,-44.74,;28.28,-43.97,;29.82,-43.96,;29.04,-42.63,)| Show InChI InChI=1S/C25H19F2N3O4/c1-33-21-7-2-14(25(32)28-16-4-5-16)12-17(21)24-19-6-9-23(29-30(19)11-10-20(24)31)34-22-8-3-15(26)13-18(22)27/h2-3,6-13,16H,4-5H2,1H3,(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50421128
(CHEMBL2088583)Show SMILES Cc1nnc(o1)-c1ccc(F)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(-2.47,-10.49,;-2.95,-11.95,;-2.04,-13.2,;-2.96,-14.44,;-4.42,-13.96,;-4.41,-12.42,;-5.68,-14.86,;-7.01,-14.09,;-8.34,-14.86,;-8.34,-16.41,;-9.68,-17.18,;-7.01,-17.18,;-5.67,-16.41,;-7.01,-18.71,;-5.68,-19.48,;-4.36,-18.71,;-3.03,-19.47,;-3.02,-21.01,;-1.69,-21.77,;-1.68,-23.31,;-3.02,-24.08,;-3.01,-25.62,;-1.67,-26.39,;-1.66,-27.93,;-.34,-25.6,;-.35,-24.07,;.98,-23.29,;-4.35,-21.77,;-5.67,-21.01,;-7.01,-21.79,;-8.34,-21.02,;-8.34,-19.48,;-9.67,-18.71,)| Show InChI InChI=1S/C23H13F3N4O3/c1-12-27-28-23(32-12)13-2-4-16(25)15(10-13)22-18-5-7-21(29-30(18)9-8-19(22)31)33-20-6-3-14(24)11-17(20)26/h2-11H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50421133
(CHEMBL2088575)Show SMILES Fc1ccc(Oc2ccc3c(-c4cc(ccc4C=C)C(=O)NC4CC4)c(=O)ccn3n2)c(F)c1 |(13.19,-41.38,;13.18,-39.84,;11.85,-39.08,;11.84,-37.54,;13.17,-36.77,;13.17,-35.23,;11.83,-34.46,;11.82,-32.92,;10.5,-32.17,;9.18,-32.93,;7.85,-32.17,;7.85,-30.63,;9.18,-29.86,;9.18,-28.31,;7.84,-27.55,;6.52,-28.32,;6.51,-29.86,;5.18,-30.63,;3.85,-29.86,;10.51,-27.54,;10.5,-26,;11.85,-28.3,;13.18,-27.53,;14.72,-27.52,;13.94,-26.19,;6.51,-32.94,;5.18,-32.17,;6.51,-34.48,;7.85,-35.25,;9.18,-34.47,;10.51,-35.23,;14.51,-37.52,;15.84,-36.75,;14.52,-39.06,)| Show InChI InChI=1S/C26H19F2N3O3/c1-2-15-3-4-16(26(33)29-18-6-7-18)13-19(15)25-21-8-10-24(30-31(21)12-11-22(25)32)34-23-9-5-17(27)14-20(23)28/h2-5,8-14,18H,1,6-7H2,(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM15241
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(p...)Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1 Show InChI InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38alpha after 3 hrs by SPA method |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50421132
(CHEMBL2088579)Show SMILES CCCNC(=O)c1ccc(C=C)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(1.15,-29.44,;-.18,-30.21,;-1.51,-29.45,;-2.85,-30.22,;-4.18,-29.46,;-4.19,-27.92,;-5.51,-30.23,;-6.85,-29.47,;-8.18,-30.24,;-8.18,-31.78,;-9.51,-32.55,;-10.85,-31.78,;-6.84,-32.56,;-5.51,-31.78,;-6.84,-34.09,;-5.51,-34.86,;-4.2,-34.09,;-2.87,-34.84,;-2.86,-36.38,;-1.52,-37.15,;-1.52,-38.69,;-2.85,-39.46,;-2.85,-41,;-1.51,-41.76,;-1.5,-43.3,;-.17,-40.98,;-.19,-39.45,;1.14,-38.67,;-4.19,-37.15,;-5.51,-36.39,;-6.85,-37.17,;-8.18,-36.4,;-8.18,-34.86,;-9.51,-34.09,)| Show InChI InChI=1S/C26H21F2N3O3/c1-3-12-29-26(33)17-6-5-16(4-2)19(14-17)25-21-8-10-24(30-31(21)13-11-22(25)32)34-23-9-7-18(27)15-20(23)28/h4-11,13-15H,2-3,12H2,1H3,(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375804
(CHEMBL270599)Show SMILES OC1Cc2c(cc(O)cc2-c2ccccc2Cl)N(C1=O)c1c(Cl)cccc1Cl |w:1.0| Show InChI InChI=1S/C21H14Cl3NO3/c22-15-5-2-1-4-12(15)13-8-11(26)9-18-14(13)10-19(27)21(28)25(18)20-16(23)6-3-7-17(20)24/h1-9,19,26-27H,10H2 | 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 | 4 | 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
(Mus musculus (mouse)) | BDBM50421125
(CHEMBL2088586)Show SMILES Fc1ccc(Oc2ccc3c(-c4c(F)cccc4F)c(=O)ccn3n2)c(F)c1 |(-3.31,-9.21,;-3.32,-7.66,;-4.65,-6.9,;-4.66,-5.36,;-3.32,-4.59,;-3.33,-3.04,;-4.67,-2.28,;-4.68,-.74,;-6,.02,;-7.32,-.75,;-8.65,.01,;-8.66,1.55,;-9.99,2.32,;-11.34,1.55,;-9.99,3.87,;-8.66,4.64,;-7.32,3.88,;-7.32,2.32,;-5.98,1.56,;-9.99,-.75,;-11.33,.02,;-9.99,-2.29,;-8.66,-3.07,;-7.32,-2.28,;-5.99,-3.05,;-1.99,-5.34,;-.66,-4.56,;-1.98,-6.88,)| Show InChI InChI=1S/C20H10F4N2O2/c21-11-4-6-17(14(24)10-11)28-18-7-5-15-20(16(27)8-9-26(15)25-18)19-12(22)2-1-3-13(19)23/h1-10H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375802
(CHEMBL271850)Show SMILES Oc1cc(-c2ccccc2Cl)c2cc(O)c(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(-.48,2.13,;-1.81,1.35,;-1.81,-.19,;-3.14,-.96,;-3.14,-2.5,;-4.48,-3.27,;-4.48,-4.81,;-3.14,-5.58,;-1.8,-4.8,;-1.81,-3.27,;-.47,-2.49,;-4.47,-.19,;-5.79,-.96,;-7.12,-.19,;-8.46,-.97,;-7.12,1.35,;-8.46,2.11,;-5.79,2.13,;-5.79,3.67,;-7.12,4.43,;-8.45,3.66,;-7.12,5.97,;-5.78,6.75,;-4.45,5.98,;-4.45,4.44,;-3.11,3.67,;-4.46,1.35,;-3.14,2.11,)| Show InChI InChI=1S/C21H12Cl3NO3/c22-15-5-2-1-4-12(15)13-8-11(26)9-18-14(13)10-19(27)21(28)25(18)20-16(23)6-3-7-17(20)24/h1-10,26-27H | 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 | 5 | 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
(Mus musculus (mouse)) | BDBM50317584
(1-(2,6-difluoro-4-(1,3,4-oxadiazol-2-yl)phenyl)-6-...)Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cc(cc3F)-c3nnco3)c(=O)ccn12 |(13.24,-49.18,;13.24,-47.64,;11.91,-46.86,;11.91,-45.32,;13.25,-44.56,;14.58,-45.32,;15.91,-44.55,;14.58,-46.86,;13.25,-43.02,;14.58,-42.25,;14.57,-40.71,;13.25,-39.95,;11.92,-40.71,;10.59,-39.94,;10.59,-38.4,;11.93,-37.63,;13.26,-38.4,;11.93,-36.09,;10.6,-35.32,;9.26,-36.1,;9.26,-37.63,;7.93,-38.41,;10.6,-33.77,;11.84,-32.86,;11.37,-31.4,;9.83,-31.4,;9.35,-32.87,;9.26,-40.71,;7.93,-39.95,;9.26,-42.25,;10.59,-43.02,;11.92,-42.25,)| Show InChI InChI=1S/C23H11F4N3O2/c24-13-4-5-14(15(25)10-13)18-2-1-3-19-22(20(31)6-7-30(18)19)21-16(26)8-12(9-17(21)27)23-29-28-11-32-23/h1-11H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38alpha after 3 hrs by SPA method |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50421134
(CHEMBL2088576)Show SMILES CCCNC(=O)c1ccc(CC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(28.02,-27.74,;26.69,-28.52,;25.36,-27.75,;24.03,-28.53,;22.69,-27.76,;22.68,-26.22,;21.36,-28.54,;20.02,-27.77,;18.7,-28.54,;18.69,-30.09,;17.36,-30.86,;16.03,-30.09,;20.03,-30.86,;21.36,-30.09,;20.03,-32.4,;21.36,-33.16,;22.68,-32.39,;24,-33.15,;24.01,-34.69,;25.35,-35.45,;25.35,-36.99,;24.02,-37.76,;24.03,-39.3,;25.36,-40.07,;25.37,-41.61,;26.7,-39.29,;26.69,-37.75,;28.02,-36.97,;22.69,-35.46,;21.36,-34.69,;20.03,-35.47,;18.69,-34.7,;18.69,-33.16,;17.36,-32.39,)| Show InChI InChI=1S/C26H23F2N3O3/c1-3-12-29-26(33)17-6-5-16(4-2)19(14-17)25-21-8-10-24(30-31(21)13-11-22(25)32)34-23-9-7-18(27)15-20(23)28/h5-11,13-15H,3-4,12H2,1-2H3,(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375806
(CHEMBL405713)Show SMILES Clc1ccccc1-c1cccc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |(.21,-16.12,;-1.12,-16.9,;-1.12,-18.44,;-2.46,-19.21,;-3.8,-18.44,;-3.79,-16.9,;-2.45,-16.13,;-2.45,-14.59,;-1.12,-13.82,;-1.13,-12.28,;-2.46,-11.52,;-3.78,-12.28,;-5.11,-11.5,;-5.11,-9.96,;-6.43,-9.19,;-7.77,-9.97,;-6.44,-7.66,;-5.1,-6.88,;-3.76,-7.65,;-3.76,-9.19,;-2.43,-9.96,;-6.44,-12.28,;-7.78,-11.52,;-6.44,-13.83,;-5.11,-14.59,;-3.78,-13.82,)| Show InChI InChI=1S/C21H12Cl3NO/c22-16-7-2-1-5-14(16)13-6-3-10-19-15(13)11-12-20(26)25(19)21-17(23)8-4-9-18(21)24/h1-12H | 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 | 6 | 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
(Mus musculus (mouse)) | BDBM50317585
(1-(4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-difluoroph...)Show SMILES Nc1nnc(o1)-c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(24.64,-30.2,;25.55,-31.45,;27.09,-31.45,;27.57,-32.91,;26.32,-33.82,;25.07,-32.92,;26.32,-35.37,;27.65,-36.14,;27.65,-37.68,;28.99,-38.45,;26.32,-38.45,;24.99,-37.68,;23.65,-38.45,;24.98,-36.14,;26.32,-39.98,;27.64,-40.76,;28.97,-40,;30.3,-40.76,;30.3,-42.3,;28.97,-43.07,;28.97,-44.6,;27.63,-45.37,;27.63,-46.91,;28.96,-47.68,;28.96,-49.22,;30.3,-46.91,;30.3,-45.37,;31.63,-44.6,;27.64,-42.3,;26.32,-43.06,;24.99,-42.3,;24.99,-40.76,;23.65,-40,)| Show InChI InChI=1S/C23H12F4N4O2/c24-12-4-5-13(14(25)10-12)17-2-1-3-18-21(19(32)6-7-31(17)18)20-15(26)8-11(9-16(20)27)22-29-30-23(28)33-22/h1-10H,(H2,28,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38alpha after 3 hrs by SPA method |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50317579
(6-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-2H-q...)Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cccc3F)c(=O)ccn12 |(29.65,-6.7,;29.65,-5.16,;28.31,-4.39,;28.31,-2.85,;29.65,-2.08,;30.98,-2.84,;32.31,-2.07,;30.99,-4.38,;29.65,-.54,;30.98,.23,;30.98,1.77,;29.65,2.53,;28.33,1.77,;27,2.55,;27,4.09,;28.33,4.85,;29.67,4.08,;28.33,6.39,;27,7.17,;25.66,6.39,;25.67,4.85,;24.33,4.08,;25.67,1.77,;24.33,2.53,;25.67,.23,;27,-.54,;28.32,.23,)| Show InChI InChI=1S/C21H11F4NO/c22-12-7-8-13(16(25)11-12)17-5-2-6-18-21(19(27)9-10-26(17)18)20-14(23)3-1-4-15(20)24/h1-11H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50317579
(6-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-2H-q...)Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cccc3F)c(=O)ccn12 |(29.65,-6.7,;29.65,-5.16,;28.31,-4.39,;28.31,-2.85,;29.65,-2.08,;30.98,-2.84,;32.31,-2.07,;30.99,-4.38,;29.65,-.54,;30.98,.23,;30.98,1.77,;29.65,2.53,;28.33,1.77,;27,2.55,;27,4.09,;28.33,4.85,;29.67,4.08,;28.33,6.39,;27,7.17,;25.66,6.39,;25.67,4.85,;24.33,4.08,;25.67,1.77,;24.33,2.53,;25.67,.23,;27,-.54,;28.32,.23,)| Show InChI InChI=1S/C21H11F4NO/c22-12-7-8-13(16(25)11-12)17-5-2-6-18-21(19(27)9-10-26(17)18)20-14(23)3-1-4-15(20)24/h1-11H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38alpha after 3 hrs by SPA method |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Mus musculus (mouse)) | BDBM50421141
(CHEMBL2088578)Show SMILES COC(=O)c1ccc(C=C)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(46,-11.48,;44.67,-12.26,;43.33,-11.49,;43.33,-9.95,;42,-12.27,;40.67,-11.5,;39.34,-12.27,;39.34,-13.82,;38,-14.59,;36.67,-13.82,;40.67,-14.59,;42.01,-13.82,;40.67,-16.12,;42,-16.89,;43.32,-16.12,;44.65,-16.88,;44.65,-18.42,;45.99,-19.18,;46,-20.72,;44.66,-21.49,;44.67,-23.03,;46.01,-23.8,;46.01,-25.34,;47.34,-23.01,;47.33,-21.48,;48.66,-20.7,;43.33,-19.18,;42,-18.42,;40.67,-19.2,;39.33,-18.43,;39.34,-16.89,;38,-16.12,)| Show InChI InChI=1S/C24H16F2N2O4/c1-3-14-4-5-15(24(30)31-2)12-17(14)23-19-7-9-22(27-28(19)11-10-20(23)29)32-21-8-6-16(25)13-18(21)26/h3-13H,1H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Mus musculus (mouse)) | BDBM50421140
(CHEMBL2088591)Show SMILES COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)-c1nnc(C)o1 |(33.77,-46.54,;35.1,-47.32,;36.43,-46.55,;36.44,-45,;37.77,-44.23,;39.1,-45,;39.11,-46.55,;37.77,-47.32,;37.77,-48.85,;39.1,-49.62,;40.42,-48.85,;41.75,-49.61,;41.75,-51.14,;43.09,-51.91,;43.1,-53.45,;41.76,-54.22,;41.77,-55.76,;43.1,-56.53,;43.11,-58.07,;44.44,-55.74,;44.43,-54.21,;45.76,-53.43,;40.43,-51.91,;39.1,-51.15,;37.77,-51.93,;36.43,-51.16,;36.43,-49.62,;35.1,-48.85,;40.36,-44.1,;41.82,-44.58,;42.73,-43.34,;41.83,-42.09,;42.31,-40.63,;40.36,-42.56,)| Show InChI InChI=1S/C24H16F2N4O4/c1-13-27-28-24(33-13)14-3-6-20(32-2)16(11-14)23-18-5-8-22(29-30(18)10-9-19(23)31)34-21-7-4-15(25)12-17(21)26/h3-12H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50421136
(CHEMBL2088587)Show SMILES COc1ccccc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(-12.43,-43.9,;-11.09,-44.67,;-9.75,-43.9,;-9.75,-42.36,;-8.42,-41.59,;-7.08,-42.35,;-7.08,-43.9,;-8.42,-44.68,;-8.41,-46.21,;-7.08,-46.98,;-5.76,-46.21,;-4.44,-46.97,;-4.43,-48.51,;-3.09,-49.27,;-3.08,-50.81,;-4.42,-51.59,;-4.41,-53.13,;-3.08,-53.89,;-3.07,-55.44,;-1.74,-53.11,;-1.75,-51.57,;-.42,-50.79,;-5.75,-49.28,;-7.08,-48.51,;-8.42,-49.3,;-9.75,-48.52,;-9.75,-46.98,;-11.09,-46.21,)| Show InChI InChI=1S/C21H14F2N2O3/c1-27-18-5-3-2-4-14(18)21-16-7-9-20(24-25(16)11-10-17(21)26)28-19-8-6-13(22)12-15(19)23/h2-12H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50317586
(1-(2,6-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)p...)Show SMILES Cc1noc(n1)-c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(-6.22,6.86,;-7.12,5.61,;-8.66,5.61,;-9.14,4.14,;-7.89,3.24,;-6.64,4.15,;-7.89,1.69,;-6.56,.92,;-6.56,-.62,;-5.22,-1.39,;-7.89,-1.39,;-9.22,-.62,;-10.56,-1.4,;-9.23,.91,;-7.9,-2.92,;-6.57,-3.7,;-5.24,-2.94,;-3.92,-3.7,;-3.91,-5.24,;-5.24,-6.01,;-5.24,-7.54,;-6.58,-8.31,;-6.58,-9.85,;-5.25,-10.62,;-5.25,-12.16,;-3.91,-9.85,;-3.91,-8.31,;-2.58,-7.54,;-6.57,-5.24,;-7.9,-6,;-9.22,-5.24,;-9.22,-3.7,;-10.56,-2.94,)| Show InChI InChI=1S/C24H13F4N3O2/c1-12-29-24(33-30-12)13-9-17(27)22(18(28)10-13)23-20-4-2-3-19(31(20)8-7-21(23)32)15-6-5-14(25)11-16(15)26/h2-11H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38alpha after 3 hrs by SPA method |
Bioorg Med Chem Lett 20: 2765-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.069 BindingDB Entry DOI: 10.7270/Q23T9HCC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50375793
(CHEMBL270812)Show SMILES COc1cc2N(C(=O)C(O)Cc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl |w:8.8| Show InChI InChI=1S/C22H16Cl3NO3/c1-29-12-9-14(13-5-2-3-6-16(13)23)15-11-20(27)22(28)26(19(15)10-12)21-17(24)7-4-8-18(21)25/h2-10,20,27H,11H2,1H3 | 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 | 9 | 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
(Mus musculus (mouse)) | BDBM50421130
(CHEMBL2088580)Show SMILES Fc1ccc(Oc2ccc3c(-c4cc(ccc4F)C(=O)NC4CC4)c(=O)ccn3n2)c(F)c1 |(20.66,-26.79,;20.65,-25.25,;19.31,-24.49,;19.31,-22.95,;20.64,-22.18,;20.64,-20.64,;19.3,-19.87,;19.29,-18.33,;17.96,-17.58,;16.65,-18.34,;15.32,-17.58,;15.31,-16.04,;16.65,-15.27,;16.65,-13.72,;15.31,-12.96,;13.98,-13.73,;13.98,-15.27,;12.65,-16.04,;17.98,-12.95,;17.97,-11.41,;19.31,-13.71,;20.64,-12.94,;22.18,-12.93,;21.41,-11.6,;13.98,-18.35,;12.65,-17.58,;13.98,-19.89,;15.31,-20.66,;16.65,-19.88,;17.97,-20.64,;21.97,-22.93,;23.3,-22.15,;21.99,-24.47,)| Show InChI InChI=1S/C24H16F3N3O3/c25-14-2-7-21(18(27)12-14)33-22-8-6-19-23(20(31)9-10-30(19)29-22)16-11-13(1-5-17(16)26)24(32)28-15-3-4-15/h1-2,5-12,15H,3-4H2,(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50135313
(3,5-Dichloro-4-[6-(4-fluoro-phenylsulfanyl)-2-oxo-...)Show SMILES COC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1 Show InChI InChI=1S/C21H14Cl2FN3O3S/c1-30-20(28)11-8-14(22)19(15(23)9-11)27-17-6-7-18(26-16(17)10-25-21(27)29)31-13-4-2-12(24)3-5-13/h2-9H,10H2,1H3,(H,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 3979-82 (2003)
BindingDB Entry DOI: 10.7270/Q2RJ4HWB |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Mus musculus (mouse)) | BDBM50317579
(6-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-2H-q...)Show SMILES Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cccc3F)c(=O)ccn12 |(29.65,-6.7,;29.65,-5.16,;28.31,-4.39,;28.31,-2.85,;29.65,-2.08,;30.98,-2.84,;32.31,-2.07,;30.99,-4.38,;29.65,-.54,;30.98,.23,;30.98,1.77,;29.65,2.53,;28.33,1.77,;27,2.55,;27,4.09,;28.33,4.85,;29.67,4.08,;28.33,6.39,;27,7.17,;25.66,6.39,;25.67,4.85,;24.33,4.08,;25.67,1.77,;24.33,2.53,;25.67,.23,;27,-.54,;28.32,.23,)| Show InChI InChI=1S/C21H11F4NO/c22-12-7-8-13(16(25)11-12)17-5-2-6-18-21(19(27)9-10-26(17)18)20-14(23)3-1-4-15(20)24/h1-11H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay |
Bioorg Med Chem Lett 22: 5979-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0 |
More data for this Ligand-Target Pair | |