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Compile Data Set for Download or QSAR

Found 1672 hits with Last Name = 'martin' and Initial = 'ja'   
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
B2 bradykinin receptor


(Cavia porcellus)
BDBM50406750
PNG
(Firazyr | HOE-140 | Icatibant)
Show SMILES [H][C@]12C[C@H](N(C(=O)[C@H]3Cc4ccccc4CN3C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum.


J Med Chem 36: 1450-60 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1QS1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Cavia porcellus)
BDBM50406751
PNG
(CHEMBL2369941)
Show SMILES [#6]-[#6]-[#6]-[#6]-1-[#6]-[#6@@H](-[#7](-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccsc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H](-[#8])-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-1-2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C57H93N19O13S/c1-2-9-31-25-43(53(87)75-39-14-4-3-10-33(39)26-42(75)49(83)71-36(54(88)89)13-7-21-67-57(63)64)74(28-31)51(85)38(29-77)72-47(81)37(24-32-18-23-90-30-32)69-44(78)27-68-48(82)40-16-17-45(79)76(40)52(86)41-15-8-22-73(41)50(84)35(12-6-20-66-56(61)62)70-46(80)34(58)11-5-19-65-55(59)60/h18,23,30-31,33-43,45,77,79H,2-17,19-22,24-29,58H2,1H3,(H,68,82)(H,69,78)(H,70,80)(H,71,83)(H,72,81)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t31?,33?,34-,35+,36+,37+,38+,39?,40+,41+,42+,43-,45+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum.


J Med Chem 36: 1450-60 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1QS1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Cavia porcellus)
BDBM50406749
PNG
(CHEMBL2028979)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N1[C@@H](CC2CCCCC12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C60H91N19O12/c61-38(19-9-25-68-58(62)63)49(82)73-39(20-10-26-69-59(64)65)54(87)78-29-13-24-46(78)56(89)77-28-12-23-45(77)52(85)71-33-48(81)72-41(30-35-14-3-1-4-15-35)50(83)76-43(34-80)51(84)75-42(31-36-16-5-2-6-17-36)55(88)79-44-22-8-7-18-37(44)32-47(79)53(86)74-40(57(90)91)21-11-27-70-60(66)67/h1-6,14-17,37-47,80H,7-13,18-34,61H2,(H,71,85)(H,72,81)(H,73,82)(H,74,86)(H,75,84)(H,76,83)(H,90,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t37?,38-,39+,40+,41+,42-,43+,44?,45+,46+,47+/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum.


J Med Chem 36: 1450-60 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1QS1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor


Bioorg Med Chem Lett 11: 265-70 (2001)


BindingDB Entry DOI: 10.7270/Q2668CFZ
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50494356
PNG
(CHEMBL3088070)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H24ClN5O3.ClH/c24-17-5-1-13(2-6-17)14-4-8-19(22-26-28-29-27-22)21(11-14)32-18-7-3-15-12-25-20(23(30)31)10-16(15)9-18;/h1-2,4-6,8,11,15-16,18,20,25H,3,7,9-10,12H2,(H,30,31)(H,26,27,28,29);1H/t15-,16+,18-,20-;/m0./s1
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3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494356
PNG
(CHEMBL3088070)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H24ClN5O3.ClH/c24-17-5-1-13(2-6-17)14-4-8-19(22-26-28-29-27-22)21(11-14)32-18-7-3-15-12-25-20(23(30)31)10-16(15)9-18;/h1-2,4-6,8,11,15-16,18,20,25H,3,7,9-10,12H2,(H,30,31)(H,26,27,28,29);1H/t15-,16+,18-,20-;/m0./s1
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20n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494342
PNG
(CHEMBL3088072)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1cccs1 |r|
Show InChI InChI=1S/C21H23N5O3S.ClH/c27-21(28)17-9-14-8-15(5-3-13(14)11-22-17)29-18-10-12(19-2-1-7-30-19)4-6-16(18)20-23-25-26-24-20;/h1-2,4,6-7,10,13-15,17,22H,3,5,8-9,11H2,(H,27,28)(H,23,24,25,26);1H/t13-,14+,15-,17-;/m0./s1
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90n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494350
PNG
(CHEMBL3088064)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25N5O3.ClH/c29-23(30)20-11-17-10-18(8-6-16(17)13-24-20)31-21-12-15(14-4-2-1-3-5-14)7-9-19(21)22-25-27-28-26-22;/h1-5,7,9,12,16-18,20,24H,6,8,10-11,13H2,(H,29,30)(H,25,26,27,28);1H/t16-,17+,18-,20-;/m0./s1
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100n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494355
PNG
(CHEMBL3085836)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(OCc2ccccc2)ccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C24H27N5O4.ClH/c30-24(31)21-11-17-10-19(7-6-16(17)13-25-21)33-22-12-18(32-14-15-4-2-1-3-5-15)8-9-20(22)23-26-28-29-27-23;/h1-5,8-9,12,16-17,19,21,25H,6-7,10-11,13-14H2,(H,30,31)(H,26,27,28,29);1H/t16-,17+,19-,21-;/m0./s1
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160n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494365
PNG
(CHEMBL3085837)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(Cc2ccccc2)ccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C24H27N5O3.ClH/c30-24(31)21-13-18-12-19(8-7-17(18)14-25-21)32-22-11-16(10-15-4-2-1-3-5-15)6-9-20(22)23-26-28-29-27-23;/h1-6,9,11,17-19,21,25H,7-8,10,12-14H2,(H,30,31)(H,26,27,28,29);1H/t17-,18+,19-,21-;/m0./s1
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160n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494364
PNG
(CHEMBL3088054)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cccc(Cl)c1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H20ClN5O3.ClH/c18-12-2-1-3-14(15(12)16-20-22-23-21-16)26-11-5-4-9-8-19-13(17(24)25)7-10(9)6-11;/h1-3,9-11,13,19H,4-8H2,(H,24,25)(H,20,21,22,23);1H/t9-,10+,11-,13-;/m0./s1
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200n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494358
PNG
(CHEMBL3088058)
Show SMILES [H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Nc1cccc(Cl)c1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H21ClN6O2/c18-12-2-1-3-13(15(12)16-21-23-24-22-16)20-11-5-4-9-8-19-14(17(25)26)7-10(9)6-11/h1-3,9-11,14,19-20H,4-8H2,(H,25,26)(H,21,22,23,24)/t9-,10+,11-,14-/m0/s1
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200n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
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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210n/an/an/an/an/an/an/an/a



Centro de Investigación Lilly

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AMPA binding to human GluR2 receptors expressed in HEK 293 cells


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
3D
3D Structure (crystal)
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 ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494351
PNG
(CHEMBL3088060)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1ccc(Cl)cc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H20ClN5O3.ClH/c18-11-2-4-15(13(7-11)16-20-22-23-21-16)26-12-3-1-9-8-19-14(17(24)25)6-10(9)5-12;/h2,4,7,9-10,12,14,19H,1,3,5-6,8H2,(H,24,25)(H,20,21,22,23);1H/t9-,10+,12-,14-;/m0./s1
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400n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50494351
PNG
(CHEMBL3088060)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1ccc(Cl)cc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H20ClN5O3.ClH/c18-11-2-4-15(13(7-11)16-20-22-23-21-16)26-12-3-1-9-8-19-14(17(24)25)6-10(9)5-12;/h2,4,7,9-10,12,14,19H,1,3,5-6,8H2,(H,24,25)(H,20,21,22,23);1H/t9-,10+,12-,14-;/m0./s1
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400n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50141931
PNG
((R)-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl-2...)
Show SMILES CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1
Show InChI InChI=1S/C42H51FN4O2/c1-2-47-40(26-38(44-47)24-30-16-18-32(19-17-30)31-10-5-3-6-11-31)33-20-22-45(23-21-33)27-36-28-46(29-39(36)35-14-9-15-37(43)25-35)41(42(48)49)34-12-7-4-8-13-34/h3,5-6,9-11,14-19,25-26,33-34,36,39,41H,2,4,7-8,12-13,20-24,27-29H2,1H3,(H,48,49)/t36-,39+,41+/m0/s1
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400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1


Bioorg Med Chem Lett 14: 947-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.006
BindingDB Entry DOI: 10.7270/Q2F18Z5V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494055
PNG
(CHEMBL2440699)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1C(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25NO5.ClH/c25-22(26)19-9-7-15(14-4-2-1-3-5-14)12-21(19)29-18-8-6-16-13-24-20(23(27)28)11-17(16)10-18;/h1-5,7,9,12,16-18,20,24H,6,8,10-11,13H2,(H,25,26)(H,27,28);1H/t16-,17+,18-,20-;/m0./s1
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500n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Binding affinity to GluK1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6459-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.046
BindingDB Entry DOI: 10.7270/Q2862KDB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494367
PNG
(CHEMBL3087685)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Sc1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H21N5O2S.ClH/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);1H/t10-,11+,12-,14-;/m0./s1
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600n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
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 ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494348
PNG
(CHEMBL3088069)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H24ClN5O3.ClH/c24-17-3-1-2-13(8-17)14-5-7-19(22-26-28-29-27-22)21(11-14)32-18-6-4-15-12-25-20(23(30)31)10-16(15)9-18;/h1-3,5,7-8,11,15-16,18,20,25H,4,6,9-10,12H2,(H,30,31)(H,26,27,28,29);1H/t15-,16+,18-,20-;/m0./s1
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700n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494068
PNG
(CHEMBL2440688)
Show SMILES [H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Sc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C17H21NO4S/c19-16(20)13-3-1-2-4-15(13)23-12-6-5-10-9-18-14(17(21)22)8-11(10)7-12/h1-4,10-12,14,18H,5-9H2,(H,19,20)(H,21,22)/t10-,11+,12-,14-/m0/s1
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800n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Binding affinity to GluK1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6459-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.046
BindingDB Entry DOI: 10.7270/Q2862KDB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50168964
PNG
((3S,4aR,6S,8aR)-6-[2-(1H-Tetrazol-5-yl)-phenylamin...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1
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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800n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494061
PNG
(CHEMBL2440689)
Show SMILES [H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Nc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C17H22N2O4/c20-16(21)13-3-1-2-4-14(13)19-12-6-5-10-9-18-15(17(22)23)8-11(10)7-12/h1-4,10-12,15,18-19H,5-9H2,(H,20,21)(H,22,23)/t10-,11+,12-,15-/m0/s1
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900n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Binding affinity to GluK1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6459-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.046
BindingDB Entry DOI: 10.7270/Q2862KDB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494352
PNG
(CHEMBL3088059)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1ccc(F)cc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C17H20FN5O3.ClH/c18-11-2-4-15(13(7-11)16-20-22-23-21-16)26-12-3-1-9-8-19-14(17(24)25)6-10(9)5-12;/h2,4,7,9-10,12,14,19H,1,3,5-6,8H2,(H,24,25)(H,20,21,22,23);1H/t9-,10+,12-,14-;/m0./s1
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900n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494346
PNG
(CHEMBL3088074)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(OC(C)C)ccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C20H27N5O4.ClH/c1-11(2)28-15-5-6-16(19-22-24-25-23-19)18(9-15)29-14-4-3-12-10-21-17(20(26)27)8-13(12)7-14;/h5-6,9,11-14,17,21H,3-4,7-8,10H2,1-2H3,(H,26,27)(H,22,23,24,25);1H/t12-,13+,14-,17-;/m0./s1
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900n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
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 1


(Homo sapiens (Human))
BDBM50494347
PNG
(CHEMBL3088071)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1nccs1 |r|
Show InChI InChI=1S/C20H22N6O3S.ClH/c27-20(28)16-8-13-7-14(3-1-12(13)10-22-16)29-17-9-11(19-21-5-6-30-19)2-4-15(17)18-23-25-26-24-18;/h2,4-6,9,12-14,16,22H,1,3,7-8,10H2,(H,27,28)(H,23,24,25,26);1H/t12-,13+,14-,16-;/m0./s1
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900n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50141911
PNG
((R)-2-[(2S,3S)-3-{4-[5-(4-Cyano-benzyl)-2-ethyl-2H...)
Show SMILES CCn1nc(Cc2ccc(cc2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
Show InChI InChI=1S/C35H44FN5O2/c1-5-41-32(19-30(38-41)17-24-9-11-25(20-37)12-10-24)26-13-15-39(16-14-26)21-28-22-40(33(34(42)43)35(2,3)4)23-31(28)27-7-6-8-29(36)18-27/h6-12,18-19,26,28,31,33H,5,13-17,21-23H2,1-4H3,(H,42,43)/t28-,31+,33-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1


Bioorg Med Chem Lett 14: 947-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.006
BindingDB Entry DOI: 10.7270/Q2F18Z5V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494366
PNG
(CHEMBL3088068)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C23H24ClN5O3.ClH/c24-19-4-2-1-3-17(19)13-6-8-18(22-26-28-29-27-22)21(11-13)32-16-7-5-14-12-25-20(23(30)31)10-15(14)9-16;/h1-4,6,8,11,14-16,20,25H,5,7,9-10,12H2,(H,30,31)(H,26,27,28,29);1H/t14-,15+,16-,20-;/m0./s1
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1.00E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494349
PNG
(CHEMBL3088066)
Show SMILES [H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Nc1cc(ccc1-c1nnn[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26N6O2/c30-23(31)21-12-17-10-18(8-6-16(17)13-24-21)25-20-11-15(14-4-2-1-3-5-14)7-9-19(20)22-26-28-29-27-22/h1-5,7,9,11,16-18,21,24-25H,6,8,10,12-13H2,(H,30,31)(H,26,27,28,29)/t16-,17+,18-,21-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494359
PNG
(CHEMBL3088055)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cccc(OC)c1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C18H23N5O4.ClH/c1-26-14-3-2-4-15(16(14)17-20-22-23-21-17)27-12-6-5-10-9-19-13(18(24)25)8-11(10)7-12;/h2-4,10-13,19H,5-9H2,1H3,(H,24,25)(H,20,21,22,23);1H/t10-,11+,12-,13-;/m0./s1
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1.10E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494361
PNG
(CHEMBL3088062)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(C)ccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C18H23N5O3.ClH/c1-10-2-5-14(17-20-22-23-21-17)16(6-10)26-13-4-3-11-9-19-15(18(24)25)8-12(11)7-13;/h2,5-6,11-13,15,19H,3-4,7-9H2,1H3,(H,24,25)(H,20,21,22,23);1H/t11-,12+,13-,15-;/m0./s1
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1.10E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50168965
PNG
((3S,4aS,6S,8aR)-6-[2-(1H-Tetrazol-5-yl)-phenoxy]-d...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1
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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1.20E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494051
PNG
(CHEMBL2440702)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Sc1cc(Cl)ccc1C(O)=O |r|
Show InChI InChI=1S/C17H20ClNO4S.ClH/c18-11-2-4-13(16(20)21)15(7-11)24-12-3-1-9-8-19-14(17(22)23)6-10(9)5-12;/h2,4,7,9-10,12,14,19H,1,3,5-6,8H2,(H,20,21)(H,22,23);1H/t9-,10+,12-,14-;/m0./s1
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1.30E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Binding affinity to GluK1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6459-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.046
BindingDB Entry DOI: 10.7270/Q2862KDB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494362
PNG
(CHEMBL3088063)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(OC)ccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C18H23N5O4.ClH/c1-26-12-4-5-14(17-20-22-23-21-17)16(8-12)27-13-3-2-10-9-19-15(18(24)25)7-11(10)6-13;/h4-5,8,10-11,13,15,19H,2-3,6-7,9H2,1H3,(H,24,25)(H,20,21,22,23);1H/t10-,11+,13-,15-;/m0./s1
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1.40E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494059
PNG
(CHEMBL2440685)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1ccc(Cl)cc1C(O)=O |r|
Show InChI InChI=1S/C17H20ClNO5.ClH/c18-11-2-4-15(13(7-11)16(20)21)24-12-3-1-9-8-19-14(17(22)23)6-10(9)5-12;/h2,4,7,9-10,12,14,19H,1,3,5-6,8H2,(H,20,21)(H,22,23);1H/t9-,10+,12-,14-;/m0./s1
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1.50E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Binding affinity to GluK1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6459-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.046
BindingDB Entry DOI: 10.7270/Q2862KDB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50168964
PNG
((3S,4aR,6S,8aR)-6-[2-(1H-Tetrazol-5-yl)-phenylamin...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Nc1ccccc1-c1nnn[nH]1
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



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
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 1


(Homo sapiens (Human))
BDBM50168965
PNG
((3S,4aS,6S,8aR)-6-[2-(1H-Tetrazol-5-yl)-phenoxy]-d...)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)Oc1ccccc1-c1nnn[nH]1
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



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
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494360
PNG
(CHEMBL3085838)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(CCc2ccccc2)ccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C25H29N5O3.ClH/c31-25(32)22-14-19-13-20(10-9-18(19)15-26-22)33-23-12-17(7-6-16-4-2-1-3-5-16)8-11-21(23)24-27-29-30-28-24;/h1-5,8,11-12,18-20,22,26H,6-7,9-10,13-15H2,(H,31,32)(H,27,28,29,30);1H/t18-,19+,20-,22-;/m0./s1
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1.70E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50494348
PNG
(CHEMBL3088069)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H24ClN5O3.ClH/c24-17-3-1-2-13(8-17)14-5-7-19(22-26-28-29-27-22)21(11-14)32-18-6-4-15-12-25-20(23(30)31)10-16(15)9-18;/h1-3,5,7-8,11,15-16,18,20,25H,4,6,9-10,12H2,(H,30,31)(H,26,27,28,29);1H/t15-,16+,18-,20-;/m0./s1
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1.70E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50494362
PNG
(CHEMBL3088063)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(OC)ccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C18H23N5O4.ClH/c1-26-12-4-5-14(17-20-22-23-21-17)16(8-12)27-13-3-2-10-9-19-15(18(24)25)7-11(10)6-13;/h4-5,8,10-11,13,15,19H,2-3,6-7,9H2,1H3,(H,24,25)(H,20,21,22,23);1H/t10-,11+,13-,15-;/m0./s1
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2.00E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50141908
PNG
((R)-2-[(2S,3S)-3-{4-[5-(4-tert-Butyl-benzyl)-2-eth...)
Show SMILES CCn1nc(Cc2ccc(cc2)C(C)(C)C)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
Show InChI InChI=1S/C38H53FN4O2/c1-8-43-34(22-32(40-43)20-26-12-14-30(15-13-26)37(2,3)4)27-16-18-41(19-17-27)23-29-24-42(35(36(44)45)38(5,6)7)25-33(29)28-10-9-11-31(39)21-28/h9-15,21-22,27,29,33,35H,8,16-20,23-25H2,1-7H3,(H,44,45)/t29-,33+,35-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1


Bioorg Med Chem Lett 14: 947-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.006
BindingDB Entry DOI: 10.7270/Q2F18Z5V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494057
PNG
(CHEMBL2440703)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(Cl)ccc1C(O)=O |r|
Show InChI InChI=1S/C17H20ClNO5.ClH/c18-11-2-4-13(16(20)21)15(7-11)24-12-3-1-9-8-19-14(17(22)23)6-10(9)5-12;/h2,4,7,9-10,12,14,19H,1,3,5-6,8H2,(H,20,21)(H,22,23);1H/t9-,10+,12-,14-;/m0./s1
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2.10E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Binding affinity to GluK1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6459-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.046
BindingDB Entry DOI: 10.7270/Q2862KDB
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50494347
PNG
(CHEMBL3088071)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1nccs1 |r|
Show InChI InChI=1S/C20H22N6O3S.ClH/c27-20(28)16-8-13-7-14(3-1-12(13)10-22-16)29-17-9-11(19-21-5-6-30-19)2-4-15(17)18-23-25-26-24-18;/h2,4-6,9,12-14,16,22H,1,3,7-8,10H2,(H,27,28)(H,23,24,25,26);1H/t12-,13+,14-,16-;/m0./s1
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2.20E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
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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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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50141905
PNG
((R)-2-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl...)
Show SMILES CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
Show InChI InChI=1S/C40H49FN4O2/c1-5-45-37(24-35(42-45)22-28-14-16-30(17-15-28)29-10-7-6-8-11-29)31-18-20-43(21-19-31)25-33-26-44(38(39(46)47)40(2,3)4)27-36(33)32-12-9-13-34(41)23-32/h6-17,23-24,31,33,36,38H,5,18-22,25-27H2,1-4H3,(H,46,47)/t33-,36+,38-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1


Bioorg Med Chem Lett 14: 947-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.006
BindingDB Entry DOI: 10.7270/Q2F18Z5V
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50494350
PNG
(CHEMBL3088064)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25N5O3.ClH/c29-23(30)20-11-17-10-18(8-6-16(17)13-24-20)31-21-12-15(14-4-2-1-3-5-14)7-9-19(21)22-25-27-28-26-22;/h1-5,7,9,12,16-18,20,24H,6,8,10-11,13H2,(H,29,30)(H,25,26,27,28);1H/t16-,17+,18-,20-;/m0./s1
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2.30E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50494060
PNG
(CHEMBL2440687)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C17H21NO5.ClH/c19-16(20)13-3-1-2-4-15(13)23-12-6-5-10-9-18-14(17(21)22)8-11(10)7-12;/h1-4,10-12,14,18H,5-9H2,(H,19,20)(H,21,22);1H/t10-,11+,12-,14-;/m0./s1
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2.30E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Binding affinity to GluK1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6459-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.046
BindingDB Entry DOI: 10.7270/Q2862KDB
More data for this
Ligand-Target Pair
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