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BDBM50094024 (+/-) Propane-2-sulfonic acid [2-(4'-cyano-biphenyl-4-yl)-propyl]-amide::CHEMBL435582::propane-2-sulfonic acid [2-(4'-cyano-biphenyl-4-yl)-propyl]-amide

SMILES: CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N

InChI Key: InChIKey=HOQAVGZLYRYHSO-UHFFFAOYSA-N

Data: 11 EC50

PDB links: 1 PDB ID matches this monomer.

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 11 hits for monomerid = 50094024   
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)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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PubMed
n/an/an/an/a 290n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 559n/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
GRIA2


(HUMAN)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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PubMed
n/an/an/an/a 1.91E+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
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 1.06E+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
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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PubMed
n/an/an/an/a 420n/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)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 290n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells


J Med Chem 43: 4354-8 (2000)


Article DOI: 10.1021/jm0002836
BindingDB Entry DOI: 10.7270/Q2R2123P
More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at GluR2 receptor


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 1.66E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR3 expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA1


(HUMAN)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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PubMed
n/an/an/an/a 5.65E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR1 expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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PubMed
n/an/an/an/a 1.44E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR2 flop expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
PDB
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PubMed
n/an/an/an/a 290n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair