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BDBM50418607 CHEMBL1784173

SMILES: CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1

InChI Key: InChIKey=HWLMFLICZZAURM-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50418607   
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))
BDBM50418607
PNG
(CHEMBL1784173)
Show SMILES CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN3O2/c1-12(2)10-24-20(26)14-4-7-19(23-11-14)17-8-15(9-18(22)13(17)3)21(27)25-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,24,26)(H,25,27)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50418607
PNG
(CHEMBL1784173)
Show SMILES CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN3O2/c1-12(2)10-24-20(26)14-4-7-19(23-11-14)17-8-15(9-18(22)13(17)3)21(27)25-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,24,26)(H,25,27)
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PC cid
PC sid
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38beta by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418607
PNG
(CHEMBL1784173)
Show SMILES CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN3O2/c1-12(2)10-24-20(26)14-4-7-19(23-11-14)17-8-15(9-18(22)13(17)3)21(27)25-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,24,26)(H,25,27)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50418607
PNG
(CHEMBL1784173)
Show SMILES CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN3O2/c1-12(2)10-24-20(26)14-4-7-19(23-11-14)17-8-15(9-18(22)13(17)3)21(27)25-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,24,26)(H,25,27)
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n/an/a 3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 expressed in Escherichia coli by fluorimetric assay


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418607
PNG
(CHEMBL1784173)
Show SMILES CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN3O2/c1-12(2)10-24-20(26)14-4-7-19(23-11-14)17-8-15(9-18(22)13(17)3)21(27)25-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair