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BDBM50122374 1-(2,6-Dichloro-phenyl)-2-oxo-5-o-tolyl-1,2,3,4-tetrahydro-quinazoline-7-carboxylic acid methyl ester::CHEMBL94377::methyl 1-(2,6-dichlorophenyl)-2-oxo-5-o-tolyl-1,2,3,4-tetrahydroquinazoline-7-carboxylate

SMILES: COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1C)c1c(Cl)cccc1Cl

InChI Key: InChIKey=DCGZQHJFRDWHTA-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50122374   
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))
BDBM50122374
PNG
(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)
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PubMed
n/an/a 11n/an/an/an/an/an/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))
BDBM50122374
PNG
(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)
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Article
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p38alpha MAPK (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0179-7
BindingDB Entry DOI: 10.7270/Q2WW7MMT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50122374
PNG
(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
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NCI pathway
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair