Found 15 hits of Enzyme Inhibition Constant Data 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)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119524
(4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5...)Show InChI InChI=1S/C15H12FN3S/c1-20-15-18-13(10-2-4-12(16)5-3-10)14(19-15)11-6-8-17-9-7-11/h2-9H,1H3,(H,18,19) | 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 | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50104376
(4-[5-(4-Fluoro-phenyl)-2-phenethyl-3H-imidazol-4-y...)Show SMILES Fc1ccc(cc1)-c1[nH]c(CCc2ccccc2)nc1-c1ccncc1 Show InChI InChI=1S/C22H18FN3/c23-19-9-7-17(8-10-19)21-22(18-12-14-24-15-13-18)26-20(25-21)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-15H,6,11H2,(H,25,26) | 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 | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119534
(4-{5-(4-Fluoro-phenyl)-2-[3-(4-methanesulfinyl-phe...)Show SMILES CS(=O)c1ccc(CCCSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)cc1 Show InChI InChI=1S/C24H22FN3OS2/c1-31(29)21-10-4-17(5-11-21)3-2-16-30-24-27-22(18-6-8-20(25)9-7-18)23(28-24)19-12-14-26-15-13-19/h4-15H,2-3,16H2,1H3,(H,27,28) | 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 | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119505
(4-[5-(4-Chloro-phenyl)-2-(4-methanesulfinyl-benzyl...)Show SMILES CS(=O)c1ccc(CSc2nc(c([nH]2)-c2ccc(Cl)cc2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H18ClN3OS2/c1-29(27)19-8-2-15(3-9-19)14-28-22-25-20(16-4-6-18(23)7-5-16)21(26-22)17-10-12-24-13-11-17/h2-13H,14H2,1H3,(H,25,26) | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119512
(4-{5-(4-Fluoro-phenyl)-2-[2-(4-methanesulfinyl-phe...)Show SMILES CS(=O)c1ccc(CCSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)cc1 Show InChI InChI=1S/C23H20FN3OS2/c1-30(28)20-8-2-16(3-9-20)12-15-29-23-26-21(17-4-6-19(24)7-5-17)22(27-23)18-10-13-25-14-11-18/h2-11,13-14H,12,15H2,1H3,(H,26,27) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114693
(4-[5-(4-Fluoro-phenyl)-2-(3-methanesulfinyl-benzyl...)Show SMILES CS(=O)c1cccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H18FN3OS2/c1-29(27)19-4-2-3-15(13-19)14-28-22-25-20(16-5-7-18(23)8-6-16)21(26-22)17-9-11-24-12-10-17/h2-13H,14H2,1H3,(H,25,26) | 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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119514
(4-[5-(4-Fluoro-phenyl)-2-(3-methylsulfanyl-benzyls...)Show SMILES CSc1cccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H18FN3S2/c1-27-19-4-2-3-15(13-19)14-28-22-25-20(16-5-7-18(23)8-6-16)21(26-22)17-9-11-24-12-10-17/h2-13H,14H2,1H3,(H,25,26) | 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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119507
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)Show SMILES CS(=O)c1cc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)ccc1O Show InChI InChI=1S/C22H18FN3O2S2/c1-30(28)19-12-14(2-7-18(19)27)13-29-22-25-20(15-3-5-17(23)6-4-15)21(26-22)16-8-10-24-11-9-16/h2-12,27H,13H2,1H3,(H,25,26) | 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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119521
(4-[5-(4-Bromo-phenyl)-2-(4-methanesulfinyl-benzyls...)Show SMILES CS(=O)c1ccc(CSc2nc(c([nH]2)-c2ccc(Br)cc2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H18BrN3OS2/c1-29(27)19-8-2-15(3-9-19)14-28-22-25-20(16-4-6-18(23)7-5-16)21(26-22)17-10-12-24-13-11-17/h2-13H,14H2,1H3,(H,25,26) | 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 | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119511
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)Show SMILES CSc1cc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)ccc1O Show InChI InChI=1S/C22H18FN3OS2/c1-28-19-12-14(2-7-18(19)27)13-29-22-25-20(15-3-5-17(23)6-4-15)21(26-22)16-8-10-24-11-9-16/h2-12,27H,13H2,1H3,(H,25,26) | 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 | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114690
(4-(2-(4-(methylsulfinyl)benzylthio)-4-(4-fluorophe...)Show SMILES CS(=O)c1ccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H18FN3OS2/c1-29(27)19-8-2-15(3-9-19)14-28-22-25-20(16-4-6-18(23)7-5-16)21(26-22)17-10-12-24-13-11-17/h2-13H,14H2,1H3,(H,25,26) | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119518
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)Show SMILES Oc1ccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)cc1 Show InChI InChI=1S/C21H16FN3OS/c22-17-5-3-15(4-6-17)19-20(16-9-11-23-12-10-16)25-21(24-19)27-13-14-1-7-18(26)8-2-14/h1-12,26H,13H2,(H,24,25) | 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 | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119536
(4-[2-(4-Methanesulfinyl-benzylsulfanyl)-5-phenyl-3...)Show SMILES CS(=O)c1ccc(CSc2nc(c([nH]2)-c2ccccc2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H19N3OS2/c1-28(26)19-9-7-16(8-10-19)15-27-22-24-20(17-5-3-2-4-6-17)21(25-22)18-11-13-23-14-12-18/h2-14H,15H2,1H3,(H,24,25) | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50119522
(4-[2-Benzylsulfanyl-5-(4-fluoro-phenyl)-3H-imidazo...)Show SMILES Fc1ccc(cc1)-c1[nH]c(SCc2ccccc2)nc1-c1ccncc1 Show InChI InChI=1S/C21H16FN3S/c22-18-8-6-16(7-9-18)19-20(17-10-12-23-13-11-17)25-21(24-19)26-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,24,25) | 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 | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tübingen
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) |
J Med Chem 45: 4695-705 (2002)
BindingDB Entry DOI: 10.7270/Q27D2TGW |
More data for this
Ligand-Target Pair | |
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