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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'clemens-smith' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/s1
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50n/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 2


(Homo sapiens (Human))
BDBM50207594
PNG
(2,3-Dihydroxy-6-nitro-benzo[f]quinoxaline-7-sulfon...)
Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
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260n/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
3D
3D Structure (crystal)
Glutamate receptor 4


(Homo sapiens (Human))
BDBM50207594
PNG
(2,3-Dihydroxy-6-nitro-benzo[f]quinoxaline-7-sulfon...)
Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
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600n/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 2


(Homo sapiens (Human))
BDBM86750
PNG
(LY 302679 | LY-302679)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](C[S](=O)(=O)c3nnc[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H20N4O4S/c18-12(19)11-4-10-3-8(1-2-9(10)5-14-11)6-22(20,21)13-15-7-16-17-13/h7-11,14H,1-6H2,(H,18,19)(H,15,16,17)/t8-,9-,10+,11-/m0/s1
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820n/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 3


(Homo sapiens (Human))
BDBM50207594
PNG
(2,3-Dihydroxy-6-nitro-benzo[f]quinoxaline-7-sulfon...)
Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
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900n/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
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM86749
PNG
(LY 457691)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H22N6O2/c24-17(25)15-8-11-7-12(6-5-10(11)9-18-15)19-14-4-2-1-3-13(14)16-20-22-23-21-16/h1-4,10-12,15,18-19H,5-9H2,(H,24,25)(H,20,21,22,23)/t10-,11+,12-,15-/m0/s1
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1.55E+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
Glutamate receptor 1


(Homo sapiens (Human))
BDBM50207594
PNG
(2,3-Dihydroxy-6-nitro-benzo[f]quinoxaline-7-sulfon...)
Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
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1.60E+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
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM86755
PNG
(LY 458545 | LY-458545)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H21N5O3/c23-17(24)14-8-11-7-12(6-5-10(11)9-18-14)25-15-4-2-1-3-13(15)16-19-21-22-20-16/h1-4,10-12,14,18H,5-9H2,(H,23,24)(H,19,20,21,22)/t10-,11+,12-,14-/m0/s1
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1.69E+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
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM86752
PNG
(LY 294486 | LY-294486)
Show SMILES OC(=O)[C@@H]1C[C@H]2CC(COCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O3/c19-13(20)11-4-10-3-8(1-2-9(10)5-14-11)6-21-7-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8?,9-,10+,11-/m0/s1
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3.06E+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
Glutamate receptor 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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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
Glutamate receptor 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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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
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM86750
PNG
(LY 302679 | LY-302679)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](C[S](=O)(=O)c3nnc[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H20N4O4S/c18-12(19)11-4-10-3-8(1-2-9(10)5-14-11)6-22(20,21)13-15-7-16-17-13/h7-11,14H,1-6H2,(H,18,19)(H,15,16,17)/t8-,9-,10+,11-/m0/s1
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3.41E+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
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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4.00E+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
Glutamate receptor ionotropic, kainate 5


(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
Glutamate receptor 2


(Homo sapiens (Human))
BDBM86749
PNG
(LY 457691)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H22N6O2/c24-17(25)15-8-11-7-12(6-5-10(11)9-18-15)19-14-4-2-1-3-13(14)16-20-22-23-21-16/h1-4,10-12,15,18-19H,5-9H2,(H,24,25)(H,20,21,22,23)/t10-,11+,12-,15-/m0/s1
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5.50E+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
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM86756
PNG
(LY 467711 | LY-467711)
Show SMILES CCC(C)OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C21H29N5O3/c1-3-13(2)28-21(27)18-11-15-10-16(9-8-14(15)12-22-18)29-19-7-5-4-6-17(19)20-23-25-26-24-20/h4-7,13-16,18,22H,3,8-12H2,1-2H3,(H,23,24,25,26)/t13?,14-,15+,16-,18-/m0/s1
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7.40E+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
Glutamate receptor 2


(Homo sapiens (Human))
BDBM86755
PNG
(LY 458545 | LY-458545)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H21N5O3/c23-17(24)14-8-11-7-12(6-5-10(11)9-18-14)25-15-4-2-1-3-13(15)16-19-21-22-20-16/h1-4,10-12,14,18H,5-9H2,(H,23,24)(H,19,20,21,22)/t10-,11+,12-,14-/m0/s1
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8.30E+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
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/s1
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8.90E+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
Glutamate receptor 1


(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 1


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/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 1


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/s1
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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 2


(Homo sapiens (Human))
BDBM86752
PNG
(LY 294486 | LY-294486)
Show SMILES OC(=O)[C@@H]1C[C@H]2CC(COCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O3/c19-13(20)11-4-10-3-8(1-2-9(10)5-14-11)6-21-7-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8?,9-,10+,11-/m0/s1
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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 2


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/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 2


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/s1
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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 2


(Homo sapiens (Human))
BDBM86756
PNG
(LY 467711 | LY-467711)
Show SMILES CCC(C)OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C21H29N5O3/c1-3-13(2)28-21(27)18-11-15-10-16(9-8-14(15)12-22-18)29-19-7-5-4-6-17(19)20-23-25-26-24-20/h4-7,13-16,18,22H,3,8-12H2,1-2H3,(H,23,24,25,26)/t13?,14-,15+,16-,18-/m0/s1
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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 2


(Homo sapiens (Human))
BDBM86753
PNG
(LY 525327 | LY-525327)
Show SMILES CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C23H34N6O2/c1-3-15(4-2)14-31-23(30)21-12-17-11-18(10-9-16(17)13-24-21)25-20-8-6-5-7-19(20)22-26-28-29-27-22/h5-8,15-18,21,24-25H,3-4,9-14H2,1-2H3,(H,26,27,28,29)/t16-,17+,18-,21-/m0/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 4


(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 4


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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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 4


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/s1
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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, kainate 5


(Homo sapiens (Human))
BDBM86753
PNG
(LY 525327 | LY-525327)
Show SMILES CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C23H34N6O2/c1-3-15(4-2)14-31-23(30)21-12-17-11-18(10-9-16(17)13-24-21)25-20-8-6-5-7-19(20)22-26-28-29-27-22/h5-8,15-18,21,24-25H,3-4,9-14H2,1-2H3,(H,26,27,28,29)/t16-,17+,18-,21-/m0/s1
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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, kainate 3


(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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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, kainate 3


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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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, 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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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, kainate 2


(Homo sapiens (Human))
BDBM50168962
PNG
((3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-iso...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
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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, kainate 2


(Homo sapiens (Human))
BDBM86754
PNG
(LY 466195 | LY-466195)
Show SMILES OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|
Show InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13?/m0/s1
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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, kainate 2


(Homo sapiens (Human))
BDBM50207594
PNG
(2,3-Dihydroxy-6-nitro-benzo[f]quinoxaline-7-sulfon...)
Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
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1.32E+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 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 3


(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 4


(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, kainate 2


(Homo sapiens (Human))
BDBM50207594
PNG
(2,3-Dihydroxy-6-nitro-benzo[f]quinoxaline-7-sulfon...)
Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
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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 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 receptor 2


(Homo sapiens (Human))
BDBM50118701
PNG
(6-(4-Carboxy-imidazol-1-ylmethyl)-decahydro-isoqui...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cn3cnc(c3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C15H21N3O4/c19-14(20)12-4-11-3-9(1-2-10(11)5-16-12)6-18-7-13(15(21)22)17-8-18/h7-12,16H,1-6H2,(H,19,20)(H,21,22)/t9-,10-,11+,12-/m0/s1
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1.17E+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 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
Glutamate receptor 1


(Homo sapiens (Human))
BDBM50118701
PNG
(6-(4-Carboxy-imidazol-1-ylmethyl)-decahydro-isoqui...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cn3cnc(c3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C15H21N3O4/c19-14(20)12-4-11-3-9(1-2-10(11)5-16-12)6-18-7-13(15(21)22)17-8-18/h7-12,16H,1-6H2,(H,19,20)(H,21,22)/t9-,10-,11+,12-/m0/s1
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1.34E+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 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))
BDBM50118701
PNG
(6-(4-Carboxy-imidazol-1-ylmethyl)-decahydro-isoqui...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cn3cnc(c3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C15H21N3O4/c19-14(20)12-4-11-3-9(1-2-10(11)5-16-12)6-18-7-13(15(21)22)17-8-18/h7-12,16H,1-6H2,(H,19,20)(H,21,22)/t9-,10-,11+,12-/m0/s1
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2.36E+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 receptor 3


(Homo sapiens (Human))
BDBM50118701
PNG
(6-(4-Carboxy-imidazol-1-ylmethyl)-decahydro-isoqui...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cn3cnc(c3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C15H21N3O4/c19-14(20)12-4-11-3-9(1-2-10(11)5-16-12)6-18-7-13(15(21)22)17-8-18/h7-12,16H,1-6H2,(H,19,20)(H,21,22)/t9-,10-,11+,12-/m0/s1
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2.47E+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 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 4


(Homo sapiens (Human))
BDBM50118701
PNG
(6-(4-Carboxy-imidazol-1-ylmethyl)-decahydro-isoqui...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cn3cnc(c3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C15H21N3O4/c19-14(20)12-4-11-3-9(1-2-10(11)5-16-12)6-18-7-13(15(21)22)17-8-18/h7-12,16H,1-6H2,(H,19,20)(H,21,22)/t9-,10-,11+,12-/m0/s1
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2.62E+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 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, kainate 2


(Homo sapiens (Human))
BDBM50118701
PNG
(6-(4-Carboxy-imidazol-1-ylmethyl)-decahydro-isoqui...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](Cn3cnc(c3)C(O)=O)CC[C@H]2CN1
Show InChI InChI=1S/C15H21N3O4/c19-14(20)12-4-11-3-9(1-2-10(11)5-16-12)6-18-7-13(15(21)22)17-8-18/h7-12,16H,1-6H2,(H,19,20)(H,21,22)/t9-,10-,11+,12-/m0/s1
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>1.00E+6n/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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>1.79E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO cells after 120 mins by scintillation counting method


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>2.40E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1D receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>2.97E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1F receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
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