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BDBM50130648 CHEMBL432798::N-{4-[5-(4-Fluoro-phenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide

SMILES: CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1

InChI Key: InChIKey=CJKGORBZVWDVRY-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50130648   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50130648
PNG
(CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...)
Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)
PDB
MMDB

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Article
PubMed
n/an/a 188n/an/an/an/an/an/a



Eberhard-Karls-University Tu£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay


J Med Chem 54: 3283-97 (2011)


Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50130648
PNG
(CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...)
Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Eberhard-Karls-University T£bingen

Curated by ChEMBL


Assay Description
Inhibitory activity against TNF-alpha release in PBM cells


J Med Chem 46: 3230-44 (2003)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50130648
PNG
(CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...)
Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Eberhard-Karls-University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38-related TNF-alpha release by whole blood cells at 10 e-4 to 10 e-8 M


J Med Chem 46: 3230-44 (2003)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM50130648
PNG
(CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...)
Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)
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n/an/a 2.86E+4n/an/an/an/an/an/a



c-a-i-r biosciences GmbH

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method


J Med Chem 60: 5290-5305 (2017)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50130648
PNG
(CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...)
Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)
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n/an/a 75n/an/an/an/an/an/a



Eberhard-Karls-University T£bingen

Curated by ChEMBL


Assay Description
Inhibitory activity against induction of IL-1-beta release in PBMCs


J Med Chem 46: 3230-44 (2003)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50130648
PNG
(CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...)
Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)
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n/an/a 500n/an/an/an/an/an/a



Eberhard-Karls-University T£bingen

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 at 10 e-4 to 10 e-8 M concentration


J Med Chem 46: 3230-44 (2003)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50130648
PNG
(CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...)
Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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n/an/a 1.08E+4n/an/an/an/an/an/a



Eberhard-Karls-University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38-related IL1-beta release by whole blood cells at 10 e-4 to 10 e-8 M


J Med Chem 46: 3230-44 (2003)

More data for this
Ligand-Target Pair