BindingDB logo
myBDB logout

null

SMILES: CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C(F)(F)F

InChI Key: InChIKey=RBMVEUBRPUKTBV-UHFFFAOYSA-N

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 = 50338271   
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 9


(Homo sapiens (Human))
BDBM50338271
PNG
(CHEMBL1681995 | ethyl 2-(2-(4-methoxyphenyl)acetam...)
Show SMILES CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C(F)(F)F
Show InChI InChI=1S/C17H16F3NO4S/c1-3-25-16(23)14-12(17(18,19)20)9-26-15(14)21-13(22)8-10-4-6-11(24-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,21,22)
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>5.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50338271
PNG
(CHEMBL1681995 | ethyl 2-(2-(4-methoxyphenyl)acetam...)
Show SMILES CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C(F)(F)F
Show InChI InChI=1S/C17H16F3NO4S/c1-3-25-16(23)14-12(17(18,19)20)9-26-15(14)21-13(22)8-10-4-6-11(24-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,21,22)
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 3.88E+4n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50338271
PNG
(CHEMBL1681995 | ethyl 2-(2-(4-methoxyphenyl)acetam...)
Show SMILES CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C(F)(F)F
Show InChI InChI=1S/C17H16F3NO4S/c1-3-25-16(23)14-12(17(18,19)20)9-26-15(14)21-13(22)8-10-4-6-11(24-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,21,22)
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 1.89E+4n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair