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BDBM50316375 CHEMBL1097939::LY-404187::N-[2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide

SMILES: CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)c1ccc(cc1)C#N

InChI Key: InChIKey=AIALBPYHYGYYRB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50316375   
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
GRIA2


(Homo sapiens (Human))
BDBM50316375
PNG
(CHEMBL1097939 | LY-404187 | N-[2-(4'-cyanobiphenyl...)
Show SMILES CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)c1ccc(cc1)C#N |(35.08,-18.3,;35.1,-19.84,;36.44,-20.59,;33.78,-20.62,;32.99,-21.94,;34.53,-21.94,;32.44,-19.86,;31.11,-20.63,;29.77,-19.86,;29.77,-18.32,;28.44,-20.63,;28.44,-22.17,;27.12,-22.94,;25.78,-22.17,;25.77,-20.64,;27.1,-19.86,;24.45,-22.95,;23.11,-22.18,;21.79,-22.95,;21.79,-24.5,;23.12,-25.27,;24.46,-24.5,;20.45,-25.27,;19.11,-26.03,)|
Show InChI InChI=1S/C19H28N2O2S/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/h4-7,14-15,17,19,21H,8-11,13H2,1-3H3
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PubMed
n/an/an/an/a 1.50E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at human recombinant GluA2 flip isoform expressed in HEK203 cells assessed as blocked of receptor desensitization


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50316375
PNG
(CHEMBL1097939 | LY-404187 | N-[2-(4'-cyanobiphenyl...)
Show SMILES CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)c1ccc(cc1)C#N |(35.08,-18.3,;35.1,-19.84,;36.44,-20.59,;33.78,-20.62,;32.99,-21.94,;34.53,-21.94,;32.44,-19.86,;31.11,-20.63,;29.77,-19.86,;29.77,-18.32,;28.44,-20.63,;28.44,-22.17,;27.12,-22.94,;25.78,-22.17,;25.77,-20.64,;27.1,-19.86,;24.45,-22.95,;23.11,-22.18,;21.79,-22.95,;21.79,-24.5,;23.12,-25.27,;24.46,-24.5,;20.45,-25.27,;19.11,-26.03,)|
Show InChI InChI=1S/C19H28N2O2S/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/h4-7,14-15,17,19,21H,8-11,13H2,1-3H3
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PubMed
n/an/an/an/a 1.44E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at human recombinant GluA2 flop isoform expressed in HEK203 cells assessed as blocked of receptor desensitization


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50316375
PNG
(CHEMBL1097939 | LY-404187 | N-[2-(4'-cyanobiphenyl...)
Show SMILES CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)c1ccc(cc1)C#N |(35.08,-18.3,;35.1,-19.84,;36.44,-20.59,;33.78,-20.62,;32.99,-21.94,;34.53,-21.94,;32.44,-19.86,;31.11,-20.63,;29.77,-19.86,;29.77,-18.32,;28.44,-20.63,;28.44,-22.17,;27.12,-22.94,;25.78,-22.17,;25.77,-20.64,;27.1,-19.86,;24.45,-22.95,;23.11,-22.18,;21.79,-22.95,;21.79,-24.5,;23.12,-25.27,;24.46,-24.5,;20.45,-25.27,;19.11,-26.03,)|
Show InChI InChI=1S/C19H28N2O2S/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/h4-7,14-15,17,19,21H,8-11,13H2,1-3H3
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PubMed
n/an/an/an/a 1.66E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at human recombinant GluA3 receptor flip isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50316375
PNG
(CHEMBL1097939 | LY-404187 | N-[2-(4'-cyanobiphenyl...)
Show SMILES CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)c1ccc(cc1)C#N |(35.08,-18.3,;35.1,-19.84,;36.44,-20.59,;33.78,-20.62,;32.99,-21.94,;34.53,-21.94,;32.44,-19.86,;31.11,-20.63,;29.77,-19.86,;29.77,-18.32,;28.44,-20.63,;28.44,-22.17,;27.12,-22.94,;25.78,-22.17,;25.77,-20.64,;27.1,-19.86,;24.45,-22.95,;23.11,-22.18,;21.79,-22.95,;21.79,-24.5,;23.12,-25.27,;24.46,-24.5,;20.45,-25.27,;19.11,-26.03,)|
Show InChI InChI=1S/C19H28N2O2S/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/h4-7,14-15,17,19,21H,8-11,13H2,1-3H3
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Article
PubMed
n/an/an/an/a 150n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at human recombinant GluA2 receptor flip isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50316375
PNG
(CHEMBL1097939 | LY-404187 | N-[2-(4'-cyanobiphenyl...)
Show SMILES CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)c1ccc(cc1)C#N |(35.08,-18.3,;35.1,-19.84,;36.44,-20.59,;33.78,-20.62,;32.99,-21.94,;34.53,-21.94,;32.44,-19.86,;31.11,-20.63,;29.77,-19.86,;29.77,-18.32,;28.44,-20.63,;28.44,-22.17,;27.12,-22.94,;25.78,-22.17,;25.77,-20.64,;27.1,-19.86,;24.45,-22.95,;23.11,-22.18,;21.79,-22.95,;21.79,-24.5,;23.12,-25.27,;24.46,-24.5,;20.45,-25.27,;19.11,-26.03,)|
Show InChI InChI=1S/C19H28N2O2S/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/h4-7,14-15,17,19,21H,8-11,13H2,1-3H3
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PubMed
n/an/an/an/a 5.65E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at human recombinant GluA1 receptor flip isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50316375
PNG
(CHEMBL1097939 | LY-404187 | N-[2-(4'-cyanobiphenyl...)
Show SMILES CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)c1ccc(cc1)C#N |(35.08,-18.3,;35.1,-19.84,;36.44,-20.59,;33.78,-20.62,;32.99,-21.94,;34.53,-21.94,;32.44,-19.86,;31.11,-20.63,;29.77,-19.86,;29.77,-18.32,;28.44,-20.63,;28.44,-22.17,;27.12,-22.94,;25.78,-22.17,;25.77,-20.64,;27.1,-19.86,;24.45,-22.95,;23.11,-22.18,;21.79,-22.95,;21.79,-24.5,;23.12,-25.27,;24.46,-24.5,;20.45,-25.27,;19.11,-26.03,)|
Show InChI InChI=1S/C19H28N2O2S/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/h4-7,14-15,17,19,21H,8-11,13H2,1-3H3
PDB

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antibodypedia
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Article
PubMed
n/an/an/an/a 1.44E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at human recombinant GluA2 receptor flop isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair