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BDBM50255906 CHEMBL480731::N-(4-(5-fluoro-6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)-1H-imidazol-2-yl)-3-methoxypropanamide

SMILES: COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1

InChI Key: InChIKey=SIJSCVJIJBPGEP-UHFFFAOYSA-N

Data: 1 KI  2 EC50

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 3 hits for monomerid = 50255906   
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
TGF-beta receptor type I


(Homo sapiens)
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.48E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 148n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair