Found 229 hits with Last Name = 'nichols' and Initial = 'ea' 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)) | BDBM50122385
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-pipe...)Show SMILES Clc1ccccc1-c1cc(CN2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H23Cl3N4O/c26-20-5-2-1-4-17(20)18-12-16(15-31-10-8-29-9-11-31)13-23-19(18)14-30-25(33)32(23)24-21(27)6-3-7-22(24)28/h1-7,12-13,29H,8-11,14-15H2,(H,30,33) | 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 | 0.100 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122386
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1 Show InChI InChI=1S/C25H21Cl3FN3O/c26-20-2-1-3-21(27)24(20)32-23-11-15(14-6-8-30-9-7-14)10-18(19(23)13-31-25(32)33)17-5-4-16(29)12-22(17)28/h1-5,10-12,14,30H,6-9,13H2,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.100 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122387
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES Fc1ccc(c(Cl)c1)-c1cc(OC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H21Cl3FN3O2/c26-20-2-1-3-21(27)24(20)32-23-12-16(34-15-6-8-30-9-7-15)11-18(19(23)13-31-25(32)33)17-5-4-14(29)10-22(17)28/h1-5,10-12,15,30H,6-9,13H2,(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
| PubMed
| n/a | n/a | 0.100 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122390
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES Fc1ccc(c(Cl)c1)-c1cc(CN2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H22Cl3FN4O/c26-20-2-1-3-21(27)24(20)33-23-11-15(14-32-8-6-30-7-9-32)10-18(19(23)13-31-25(33)34)17-5-4-16(29)12-22(17)28/h1-5,10-12,30H,6-9,13-14H2,(H,31,34) | 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 | 0.130 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM17060
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(p...)Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1 Show InChI InChI=1S/C25H21Cl2F2N3O/c26-20-2-1-3-21(27)24(20)32-23-11-15(14-6-8-30-9-7-14)10-18(19(23)13-31-25(32)33)17-5-4-16(28)12-22(17)29/h1-5,10-12,14,30H,6-9,13H2,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122384
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-(pip...)Show SMILES Clc1ccccc1-c1cc(OC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H22Cl3N3O2/c26-20-5-2-1-4-17(20)18-12-16(33-15-8-10-29-11-9-15)13-23-19(18)14-30-25(32)31(23)24-21(27)6-3-7-22(24)28/h1-7,12-13,15,29H,8-11,14H2,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122379
(7-(1-tert-Butyl-piperidin-4-yl)-5-(2-chloro-4-fluo...)Show SMILES CC(C)(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C29H29Cl3FN3O/c1-29(2,3)35-11-9-17(10-12-35)18-13-21(20-8-7-19(33)15-25(20)32)22-16-34-28(37)36(26(22)14-18)27-23(30)5-4-6-24(27)31/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122382
(5-(2-Chloro-4-fluoro-phenyl)-7-[1-(1-cyclopropyl-e...)Show SMILES CC(C1CC1)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C30H29Cl3FN3O/c1-17(18-5-6-18)36-11-9-19(10-12-36)20-13-23(22-8-7-21(34)15-27(22)33)24-16-35-30(38)37(28(24)14-20)29-25(31)3-2-4-26(29)32/h2-4,7-8,13-15,17-19H,5-6,9-12,16H2,1H3,(H,35,38) | 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 | 0.300 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122377
(5-(2-Chloro-4-fluoro-phenyl)-7-(1-cyclobutyl-piper...)Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC1)C1CCC1 Show InChI InChI=1S/C29H27Cl3FN3O/c30-24-5-2-6-25(31)28(24)36-27-14-18(17-9-11-35(12-10-17)20-3-1-4-20)13-22(23(27)16-34-29(36)37)21-8-7-19(33)15-26(21)32/h2,5-8,13-15,17,20H,1,3-4,9-12,16H2,(H,34,37) | 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 | 0.400 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122395
(5-(2-Chloro-4-fluoro-phenyl)-7-(1-cyclopropylmethy...)Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC2CC2)CC1 Show InChI InChI=1S/C29H27Cl3FN3O/c30-24-2-1-3-25(31)28(24)36-27-13-19(18-8-10-35(11-9-18)16-17-4-5-17)12-22(23(27)15-34-29(36)37)21-7-6-20(33)14-26(21)32/h1-3,6-7,12-14,17-18H,4-5,8-11,15-16H2,(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122391
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-(pip...)Show SMILES Clc1ccccc1-c1cc(NC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H23Cl3N4O/c26-20-5-2-1-4-17(20)18-12-16(31-15-8-10-29-11-9-15)13-23-19(18)14-30-25(33)32(23)24-21(27)6-3-7-22(24)28/h1-7,12-13,15,29,31H,8-11,14H2,(H,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122405
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES CN1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H23Cl3FN3O/c1-32-9-7-15(8-10-32)16-11-19(18-6-5-17(30)13-23(18)29)20-14-31-26(34)33(24(20)12-16)25-21(27)3-2-4-22(25)28/h2-6,11-13,15H,7-10,14H2,1H3,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122383
(1-(2,6-Dichloro-phenyl)-5-(2,4-difluoro-phenyl)-7-...)Show SMILES Fc1ccc(c(F)c1)-c1cc(NC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H22Cl2F2N4O/c26-20-2-1-3-21(27)24(20)33-23-12-16(32-15-6-8-30-9-7-15)11-18(19(23)13-31-25(33)34)17-5-4-14(28)10-22(17)29/h1-5,10-12,15,30,32H,6-9,13H2,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122389
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H27Cl3FN3O/c1-16(2)34-10-8-17(9-11-34)18-12-21(20-7-6-19(32)14-25(20)31)22-15-33-28(36)35(26(22)13-18)27-23(29)4-3-5-24(27)30/h3-7,12-14,16-17H,8-11,15H2,1-2H3,(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122376
(5-(2-Chloro-4-fluoro-phenyl)-7-(1-cyclobutylmethyl...)Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC2CCC2)CC1 Show InChI InChI=1S/C30H29Cl3FN3O/c31-25-5-2-6-26(32)29(25)37-28-14-20(19-9-11-36(12-10-19)17-18-3-1-4-18)13-23(24(28)16-35-30(37)38)22-8-7-21(34)15-27(22)33/h2,5-8,13-15,18-19H,1,3-4,9-12,16-17H2,(H,35,38) | 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 | 0.600 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122407
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-pipe...)Show SMILES Clc1ccccc1-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1 Show InChI InChI=1S/C25H22Cl3N3O/c26-20-5-2-1-4-17(20)18-12-16(15-8-10-29-11-9-15)13-23-19(18)14-30-25(32)31(23)24-21(27)6-3-7-22(24)28/h1-7,12-13,15,29H,8-11,14H2,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
H2-K region expressed gene 2, rat orthologue
(Rattus norvegicus) | BDBM50079824
(((S)-1-{(S)-1-[(S)-(S)-1-(1-Carbamoyl-3-methyl-but...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C29H48N8O6/c1-5-11-20(25(39)36-22(24(30)38)16-18(3)4)34-26(40)21(14-10-15-33-28(31)32)35-27(41)23(37-29(42)43-6-2)17-19-12-8-7-9-13-19/h7-9,12-13,18,20-23H,5-6,10-11,14-17H2,1-4H3,(H2,30,38)(H,34,40)(H,35,41)(H,36,39)(H,37,42)(H4,31,32,33)/t20-,21-,22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie... |
Bioorg Med Chem Lett 9: 2109-14 (1999)
BindingDB Entry DOI: 10.7270/Q2NZ86TF |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM17058
(CHEMBL94556 | Dihydro-quinazolinone analog, 7 | me...)Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H15Cl3N2O3/c1-30-21(28)12-9-14(13-5-2-3-6-16(13)23)15-11-26-22(29)27(19(15)10-12)20-17(24)7-4-8-18(20)25/h2-10H,11H2,1H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
H2-K region expressed gene 2, rat orthologue
(Rattus norvegicus) | BDBM50079829
(((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)Show SMILES CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C28H45N5O6/c1-7-12-20(25(35)31-21(24(29)34)15-17(3)4)30-27(37)23(18(5)6)33-26(36)22(32-28(38)39-8-2)16-19-13-10-9-11-14-19/h9-11,13-14,17-18,20-23H,7-8,12,15-16H2,1-6H3,(H2,29,34)(H,30,37)(H,31,35)(H,32,38)(H,33,36)/t20-,21-,22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie... |
Bioorg Med Chem Lett 9: 2109-14 (1999)
BindingDB Entry DOI: 10.7270/Q2NZ86TF |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122400
(5-(2-Chloro-4-fluoro-phenyl)-7-(1-cyclopropyl-pipe...)Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC1)C1CC1 Show InChI InChI=1S/C28H25Cl3FN3O/c29-23-2-1-3-24(30)27(23)35-26-13-17(16-8-10-34(11-9-16)19-5-6-19)12-21(22(26)15-33-28(35)36)20-7-4-18(32)14-25(20)31/h1-4,7,12-14,16,19H,5-6,8-11,15H2,(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122398
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1 Show InChI InChI=1S/C25H20Cl3FN4O2/c26-19-2-1-3-20(27)23(19)33-22-11-14(24(34)32-8-6-30-7-9-32)10-17(18(22)13-31-25(33)35)16-5-4-15(29)12-21(16)28/h1-5,10-12,30H,6-9,13H2,(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122373
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES CCN1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C27H25Cl3FN3O/c1-2-33-10-8-16(9-11-33)17-12-20(19-7-6-18(31)14-24(19)30)21-15-32-27(35)34(25(21)13-17)26-22(28)4-3-5-23(26)29/h3-7,12-14,16H,2,8-11,15H2,1H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.20 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
MHC class II antigen
(Homo sapiens (Human)) | BDBM50289286
(((R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)Show SMILES CCOC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C26H47N5O6/c1-7-37-26(36)30-20(14-18-11-9-8-10-12-18)24(34)31-21(16(4)5)25(35)28-17(6)23(33)29-19(22(27)32)13-15(2)3/h15-21H,7-14H2,1-6H3,(H2,27,32)(H,28,35)(H,29,33)(H,30,36)(H,31,34)/t17-,19-,20+,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ... |
Bioorg Med Chem Lett 7: 19-24 (1997)
Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ |
More data for this
Ligand-Target Pair | |
MHC class II antigen
(Homo sapiens (Human)) | BDBM50079824
(((S)-1-{(S)-1-[(S)-(S)-1-(1-Carbamoyl-3-methyl-but...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C29H48N8O6/c1-5-11-20(25(39)36-22(24(30)38)16-18(3)4)34-26(40)21(14-10-15-33-28(31)32)35-27(41)23(37-29(42)43-6-2)17-19-12-8-7-9-13-19/h7-9,12-13,18,20-23H,5-6,10-11,14-17H2,1-4H3,(H2,30,38)(H,34,40)(H,35,41)(H,36,39)(H,37,42)(H4,31,32,33)/t20-,21-,22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ... |
Bioorg Med Chem Lett 7: 19-24 (1997)
Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122378
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-pipe...)Show SMILES Clc1ccccc1-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1 Show InChI InChI=1S/C24H21Cl3N4O/c25-19-5-2-1-4-16(19)17-12-15(30-10-8-28-9-11-30)13-22-18(17)14-29-24(32)31(22)23-20(26)6-3-7-21(23)27/h1-7,12-13,28H,8-11,14H2,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122401
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-(pip...)Show SMILES Clc1ccccc1-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1 Show InChI InChI=1S/C25H21Cl3N4O2/c26-19-5-2-1-4-16(19)17-12-15(24(33)31-10-8-29-9-11-31)13-22-18(17)14-30-25(34)32(22)23-20(27)6-3-7-21(23)28/h1-7,12-13,29H,8-11,14H2,(H,30,34) | 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 | 1.5 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122375
(1-(2,6-Dichloro-phenyl)-5-(2,4-difluoro-phenyl)-7-...)Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1 Show InChI InChI=1S/C25H20Cl2F2N4O2/c26-19-2-1-3-20(27)23(19)33-22-11-14(24(34)32-8-6-30-7-9-32)10-17(18(22)13-31-25(33)35)16-5-4-15(28)12-21(16)29/h1-5,10-12,30H,6-9,13H2,(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
| PubMed
| n/a | n/a | 2.40 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122388
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)Show SMILES COc1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H14Cl3FN2O2/c1-29-12-8-14(13-6-5-11(25)7-18(13)24)15-10-26-21(28)27(19(15)9-12)20-16(22)3-2-4-17(20)23/h2-9H,10H2,1H3,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
MHC class II antigen
(Homo sapiens (Human)) | BDBM50289247
((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...)Show SMILES CCOC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C32H46N8O8/c1-5-48-32(47)38-23(16-19-12-13-20-9-6-7-10-21(20)15-19)29(44)40(4)24(11-8-14-36-31(34)35)28(43)37-22(17-25(33)41)27(42)39-26(18(2)3)30(45)46/h6-7,9-10,12-13,15,18,22-24,26H,5,8,11,14,16-17H2,1-4H3,(H2,33,41)(H,37,43)(H,38,47)(H,39,42)(H,45,46)(H4,34,35,36)/t22-,23+,24-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II... |
Bioorg Med Chem Lett 7: 19-24 (1997)
Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM17056
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methox...)Show SMILES COc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H15Cl3N2O2/c1-28-12-9-14(13-5-2-3-6-16(13)22)15-11-25-21(27)26(19(15)10-12)20-17(23)7-4-8-18(20)24/h2-10H,11H2,1H3,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
Inhibitory activity against mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122920
(6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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 Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
MHC class II antigen
(Homo sapiens (Human)) | BDBM50289278
((S)-2-[(S)-3-Carbamoyl-2-((S)-2-{[(R)-2-ethoxycarb...)Show SMILES CCOC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C28H44N8O9/c1-5-45-28(44)34-19(13-16-8-10-17(37)11-9-16)25(41)36(4)20(7-6-12-32-27(30)31)24(40)33-18(14-21(29)38)23(39)35-22(15(2)3)26(42)43/h8-11,15,18-20,22,37H,5-7,12-14H2,1-4H3,(H2,29,38)(H,33,40)(H,34,44)(H,35,39)(H,42,43)(H4,30,31,32)/t18-,19+,20-,22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II... |
Bioorg Med Chem Lett 7: 19-24 (1997)
Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122403
(1-(2,6-Dichloro-phenyl)-5-(2,4-difluoro-phenyl)-2-...)Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H14Cl2F2N2O3/c1-31-21(29)11-7-14(13-6-5-12(25)9-18(13)26)15-10-27-22(30)28(19(15)8-11)20-16(23)3-2-4-17(20)24/h2-9H,10H2,1H3,(H,27,30) | 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 | 7 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122409
(1-(2,6-Dichloro-phenyl)-5-(2-fluoro-phenyl)-2-oxo-...)Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H15Cl2FN2O3/c1-30-21(28)12-9-14(13-5-2-3-8-18(13)25)15-11-26-22(29)27(19(15)10-12)20-16(23)6-4-7-17(20)24/h2-10H,11H2,1H3,(H,26,29) | 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 | 7 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122915
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16| Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122914
(6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...)Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9| Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122916
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl Show InChI InChI=1S/C24H16ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-14H,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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
MHC class II antigen
(Homo sapiens (Human)) | BDBM50289286
(((R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)Show SMILES CCOC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C26H47N5O6/c1-7-37-26(36)30-20(14-18-11-9-8-10-12-18)24(34)31-21(16(4)5)25(35)28-17(6)23(33)29-19(22(27)32)13-15(2)3/h15-21H,7-14H2,1-6H3,(H2,27,32)(H,28,35)(H,29,33)(H,30,36)(H,31,34)/t17-,19-,20+,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ... |
Bioorg Med Chem Lett 7: 19-24 (1997)
Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122915
(2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...)Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16| Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122374
(1-(2,6-Dichloro-phenyl)-2-oxo-5-o-tolyl-1,2,3,4-te...)Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1C)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H18Cl2N2O3/c1-13-6-3-4-7-15(13)16-10-14(22(28)30-2)11-20-17(16)12-26-23(29)27(20)21-18(24)8-5-9-19(21)25/h3-11H,12H2,1-2H3,(H,26,29) | 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 | 11 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122404
(1-(2,6-Dichloro-phenyl)-5-(4-fluoro-2-methyl-pheny...)Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1C)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H17Cl2FN2O3/c1-12-8-14(26)6-7-15(12)16-9-13(22(29)31-2)10-20-17(16)11-27-23(30)28(20)21-18(24)4-3-5-19(21)25/h3-10H,11H2,1-2H3,(H,27,30) | 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 | 11 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50122402
(1-(2,6-Dichloro-phenyl)-5-(2,4-difluoro-phenyl)-7-...)Show SMILES COc1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H14Cl2F2N2O2/c1-29-12-8-14(13-6-5-11(24)7-18(13)25)15-10-26-21(28)27(19(15)9-12)20-16(22)3-2-4-17(20)23/h2-9H,10H2,1H3,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 11 | 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: 277-80 (2002)
BindingDB Entry DOI: 10.7270/Q25X2884 |
More data for this
Ligand-Target Pair | |
MHC class II antigen
(Homo sapiens (Human)) | BDBM50289276
((1-{2-Methyl-1-[1-(2-oxo-azepan-3-ylcarbamoyl)-eth...)Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCCNC1=O Show InChI InChI=1S/C26H39N5O6/c1-5-37-26(36)30-20(15-18-11-7-6-8-12-18)24(34)31-21(16(2)3)25(35)28-17(4)22(32)29-19-13-9-10-14-27-23(19)33/h6-8,11-12,16-17,19-21H,5,9-10,13-15H2,1-4H3,(H,27,33)(H,28,35)(H,29,32)(H,30,36)(H,31,34)/t17-,19-,20-,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II... |
Bioorg Med Chem Lett 7: 19-24 (1997)
Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122922
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)| Show InChI InChI=1S/C23H12Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-12H | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50122914
(6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...)Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9| Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Mus musculus (mouse)) | BDBM50122908
(6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...)Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9| Show InChI InChI=1S/C24H18ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3 | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti... |
J Med Chem 46: 349-52 (2003)
Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR |
More data for this
Ligand-Target Pair | |
MHC class II antigen
(Homo sapiens (Human)) | BDBM50289258
((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...)Show SMILES CCOC(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C33H48N8O8/c1-6-49-33(47)39-24(17-21-13-9-12-20-11-7-8-14-22(20)21)30(45)41(4)25(15-10-16-37-32(35)36)29(44)38-23(18-26(34)42)28(43)40-27(19(2)3)31(46)48-5/h7-9,11-14,19,23-25,27H,6,10,15-18H2,1-5H3,(H2,34,42)(H,38,44)(H,39,47)(H,40,43)(H4,35,36,37)/t23-,24+,25-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ... |
Bioorg Med Chem Lett 7: 19-24 (1997)
Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ |
More data for this
Ligand-Target Pair | |
MHC class II antigen
(Homo sapiens (Human)) | BDBM50289258
((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...)Show SMILES CCOC(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C33H48N8O8/c1-6-49-33(47)39-24(17-21-13-9-12-20-11-7-8-14-22(20)21)30(45)41(4)25(15-10-16-37-32(35)36)29(44)38-23(18-26(34)42)28(43)40-27(19(2)3)31(46)48-5/h7-9,11-14,19,23-25,27H,6,10,15-18H2,1-5H3,(H2,34,42)(H,38,44)(H,39,47)(H,40,43)(H4,35,36,37)/t23-,24+,25-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II... |
Bioorg Med Chem Lett 7: 19-24 (1997)
Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ |
More data for this
Ligand-Target Pair | |
MHC class II antigen
(Homo sapiens (Human)) | BDBM50079824
(((S)-1-{(S)-1-[(S)-(S)-1-(1-Carbamoyl-3-methyl-but...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C29H48N8O6/c1-5-11-20(25(39)36-22(24(30)38)16-18(3)4)34-26(40)21(14-10-15-33-28(31)32)35-27(41)23(37-29(42)43-6-2)17-19-12-8-7-9-13-19/h7-9,12-13,18,20-23H,5-6,10-11,14-17H2,1-4H3,(H2,30,38)(H,34,40)(H,35,41)(H,36,39)(H,37,42)(H4,31,32,33)/t20-,21-,22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II... |
Bioorg Med Chem Lett 7: 19-24 (1997)
Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ |
More data for this
Ligand-Target Pair | |
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