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BDBM86751 CHEMBL14935::LY 293558::LY-293558

SMILES: OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1

InChI Key: InChIKey=ZXFRFPSZAKNPQQ-YTWAJWBKSA-N

Data: 21 KI  1 IC50

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 22 hits for monomerid = 86751   
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))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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2.21E+3n/an/an/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AMPA binding to human Ionontropic glutamate receptor 2


J Med Chem 48: 4200-3 (2005)


Article DOI: 10.1021/jm0491952
BindingDB Entry DOI: 10.7270/Q2HQ3ZDM
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR2


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamate receptor AMPA 2


J Med Chem 45: 4383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2XP75N4
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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4.16E+3n/an/an/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Inhibition of [3H]-KA binding to iontropic glutamate receptor 5


J Med Chem 48: 4200-3 (2005)


Article DOI: 10.1021/jm0491952
BindingDB Entry DOI: 10.7270/Q2HQ3ZDM
More data for this
Ligand-Target Pair
Grik5


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR5


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR1


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamate receptor AMPA 1


J Med Chem 45: 4383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2XP75N4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
Glutamate-Kainate 7


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
GRIA4


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 318: 772-81 (2006)


Article DOI: 10.1124/jpet.106.101428
BindingDB Entry DOI: 10.7270/Q2NP230D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamate receptor AMPA 3


J Med Chem 45: 4383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2XP75N4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR3


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamate receptor AMPA 4


J Med Chem 45: 4383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2XP75N4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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5.05E+4n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR4


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace binding of [3H]AMPA to recombinant human AMPA receptor Ionotropic glutamate receptor ionotropic kainate 2


J Med Chem 45: 4383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2XP75N4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace binding of [3H]KA to recombinant human KA receptor Ionotropic glutamate receptor ionotropic kainate 2 expressed in EK 293 cell me...


J Med Chem 45: 4383-6 (2002)


BindingDB Entry DOI: 10.7270/Q2XP75N4
More data for this
Ligand-Target Pair
Glutamate-Kainate 7


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR7


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR6


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Inhibition of [3H]-KA binding to iontropic glutamate receptor 6


J Med Chem 48: 4200-3 (2005)


Article DOI: 10.1021/jm0491952
BindingDB Entry DOI: 10.7270/Q2HQ3ZDM
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
PDB
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KEGG

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n/an/a 500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GluK1 receptor (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair