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BDBM50095428 5-tert-Butyl-3-(3-p-tolyl-ureido)-1H-pyrrole-2-carboxylic acid methyl ester::CHEMBL18764::methyl 5-tert-butyl-3-(3-p-tolylureido)-1H-pyrrole-2-carboxylate

SMILES: COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C

InChI Key: InChIKey=BCJABVRQTWUBDN-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50095428   
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))
BDBM50095428
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-1H-pyrrole-2-car...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O3/c1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5/h6-10,21H,1-5H3,(H2,19,20,23)
PDB
MMDB

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PubMed
n/an/a 33n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095428
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-1H-pyrrole-2-car...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O3/c1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5/h6-10,21H,1-5H3,(H2,19,20,23)
PDB
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UniChem

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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against raf kinase.


Bioorg Med Chem Lett 11: 2775-8 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0VD5
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095428
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-1H-pyrrole-2-car...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O3/c1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5/h6-10,21H,1-5H3,(H2,19,20,23)
PDB
MMDB

NCI pathway
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KEGG

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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf1 (unknown origin)


Eur J Med Chem 44: 1240-9 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.016
BindingDB Entry DOI: 10.7270/Q28G8KJ5
More data for this
Ligand-Target Pair