BindingDB logo
myBDB logout

BDBM50332054 CHEMBL1288243::isopropyl 3-(2-phenylacetamido)thiophene-2-carboxylate

SMILES: CC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1

InChI Key: InChIKey=IKURLBUMVCRMBN-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50332054   
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 8


(Homo sapiens (Human))
BDBM50332054
PNG
(CHEMBL1288243 | isopropyl 3-(2-phenylacetamido)thi...)
Show SMILES CC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C16H17NO3S/c1-11(2)20-16(19)15-13(8-9-21-15)17-14(18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50332054
PNG
(CHEMBL1288243 | isopropyl 3-(2-phenylacetamido)thi...)
Show SMILES CC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C16H17NO3S/c1-11(2)20-16(19)15-13(8-9-21-15)17-14(18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50332054
PNG
(CHEMBL1288243 | isopropyl 3-(2-phenylacetamido)thi...)
Show SMILES CC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C16H17NO3S/c1-11(2)20-16(19)15-13(8-9-21-15)17-14(18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.77E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair