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BDBM50191962 3-biphenyl-4-yl-4-cyano-1-methyl-5-methylsulfanyl-1H-pyrrole-2-carboxylic acid::CHEMBL385220

SMILES: CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=XVQDUFDWJSXDDR-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50191962   
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)
BDBM50191962
PNG
(3-biphenyl-4-yl-4-cyano-1-methyl-5-methylsulfanyl-...)
Show SMILES CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-22-18(20(23)24)17(16(12-21)19(22)25-2)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,23,24)
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Article
PubMed
n/an/an/an/a 394n/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


(HUMAN)
BDBM50191962
PNG
(3-biphenyl-4-yl-4-cyano-1-methyl-5-methylsulfanyl-...)
Show SMILES CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-22-18(20(23)24)17(16(12-21)19(22)25-2)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

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 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)
BDBM50191962
PNG
(3-biphenyl-4-yl-4-cyano-1-methyl-5-methylsulfanyl-...)
Show SMILES CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-22-18(20(23)24)17(16(12-21)19(22)25-2)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 473n/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Activity at human recombinant iGluR2 flop expressed in HEK293 cells measured as change in intracellular calcium ion concentration in presence of glut...


Bioorg Med Chem Lett 16: 5203-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.012
BindingDB Entry DOI: 10.7270/Q21G0KWF
More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50191962
PNG
(3-biphenyl-4-yl-4-cyano-1-methyl-5-methylsulfanyl-...)
Show SMILES CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-22-18(20(23)24)17(16(12-21)19(22)25-2)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 174n/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)
BDBM50191962
PNG
(3-biphenyl-4-yl-4-cyano-1-methyl-5-methylsulfanyl-...)
Show SMILES CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-22-18(20(23)24)17(16(12-21)19(22)25-2)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 394n/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Activity at human recombinant iGluR4 flip expressed in HEK293 cells measured as change in intracellular calcium ion concentration in presence of glut...


Bioorg Med Chem Lett 16: 5203-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.012
BindingDB Entry DOI: 10.7270/Q21G0KWF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50191962
PNG
(3-biphenyl-4-yl-4-cyano-1-methyl-5-methylsulfanyl-...)
Show SMILES CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-22-18(20(23)24)17(16(12-21)19(22)25-2)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,23,24)
PDB
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Reactome pathway
KEGG

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UniChem

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Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Activity at human recombinant iGluR4 flop expressed in HEK293 cells measured as change in intracellular calcium ion concentration in presence of glut...


Bioorg Med Chem Lett 16: 5203-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.012
BindingDB Entry DOI: 10.7270/Q21G0KWF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50191962
PNG
(3-biphenyl-4-yl-4-cyano-1-methyl-5-methylsulfanyl-...)
Show SMILES CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-22-18(20(23)24)17(16(12-21)19(22)25-2)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,23,24)
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 1.30E+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)
BDBM50191962
PNG
(3-biphenyl-4-yl-4-cyano-1-methyl-5-methylsulfanyl-...)
Show SMILES CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c1-22-18(20(23)24)17(16(12-21)19(22)25-2)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 174n/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Activity at human recombinant iGluR2 flip expressed in HEK293 cells measured as change in intracellular calcium ion concentration in presence of glut...


Bioorg Med Chem Lett 16: 5203-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.012
BindingDB Entry DOI: 10.7270/Q21G0KWF
More data for this
Ligand-Target Pair