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BDBM50095420 5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-thiophene-2-carboxylic acid methyl ester::CHEMBL278737

SMILES: COC(=O)c1sc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C

InChI Key: InChIKey=OQCCZKUFFXQPQV-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095420   
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095420
PNG
(5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-thioph...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C17H19ClN2O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6.80E+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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095420
PNG
(5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-thioph...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C17H19ClN2O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 220n/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