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BDBM50192222 3-(4-tert-butylphenyl)-4-cyano-5-(dimethylamino)thiophene-2-carboxylic acid::CHEMBL218347

SMILES: CN(C)c1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=OLCMVCLJBGXVTE-UHFFFAOYSA-N

Data: 4 EC50

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 4 hits for monomerid = 50192222   
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
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50192222
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(dimethylamino)th...)
Show SMILES CN(C)c1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H20N2O2S/c1-18(2,3)12-8-6-11(7-9-12)14-13(10-19)16(20(4)5)23-15(14)17(21)22/h6-9H,1-5H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 474n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR4 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50192222
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(dimethylamino)th...)
Show SMILES CN(C)c1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H20N2O2S/c1-18(2,3)12-8-6-11(7-9-12)14-13(10-19)16(20(4)5)23-15(14)17(21)22/h6-9H,1-5H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR4 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50192222
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(dimethylamino)th...)
Show SMILES CN(C)c1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H20N2O2S/c1-18(2,3)12-8-6-11(7-9-12)14-13(10-19)16(20(4)5)23-15(14)17(21)22/h6-9H,1-5H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.85E+3n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR2 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50192222
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(dimethylamino)th...)
Show SMILES CN(C)c1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H20N2O2S/c1-18(2,3)12-8-6-11(7-9-12)14-13(10-19)16(20(4)5)23-15(14)17(21)22/h6-9H,1-5H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 176n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR2 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair