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BDBM50192217 3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)thiophene-2-carboxylic acid::CHEMBL387304

SMILES: CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O

InChI Key: InChIKey=VOLVHVOAIIZMJZ-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 = 50192217   
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 (Human))
BDBM50192217
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)
PDB
MMDB

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Article
PubMed
n/an/an/an/a 1.01E+3n/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
GRIA2


(Homo sapiens (Human))
BDBM50192217
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.14E+3n/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
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50192217
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem

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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


(Homo sapiens (Human))
BDBM50192217
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.43E+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