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Compile Data Set for Download or QSAR

Found 1337 hits with Last Name = 'hoo' and Initial = 'k'   
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
Grik5


(Homo sapiens (Human))
BDBM50060627
PNG
((S)-2-Amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyr...)
Show SMILES N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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0.240n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)


Article DOI: 10.1021/jm9702387
BindingDB Entry DOI: 10.7270/Q28G8MCB
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GnRH receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to rat pituitary GnRH receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053067
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-phenyl-vinyl)-pyrr...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccccc1
Show InChI InChI=1S/C15H17NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,11-12,14,16H,1,7-8H2,(H,17,18)(H,19,20)/t11-,12+,14-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121472
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053071
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-fluoro-3-methyl...)
Show SMILES Cc1cc(ccc1F)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H18FNO4/c1-8-5-10(3-4-13(8)17)9(2)12-7-18-15(16(21)22)11(12)6-14(19)20/h3-5,11-12,15,18H,2,6-7H2,1H3,(H,19,20)(H,21,22)/t11-,12+,15-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10877
PNG
(4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...)
Show SMILES NS(=O)(=O)c1ccc(CCO)cc1
Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)
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2n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053075
PNG
((2S,3S,4S)-4-(1-Biphenyl-3-yl-vinyl)-3-carboxymeth...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c1-13(18-12-22-20(21(25)26)17(18)11-19(23)24)15-8-5-9-16(10-15)14-6-3-2-4-7-14/h2-10,17-18,20,22H,1,11-12H2,(H,23,24)(H,25,26)/t17-,18+,20-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053083
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-m-tolyl-vinyl)-pyr...)
Show SMILES Cc1cccc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO4/c1-9-4-3-5-11(6-9)10(2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053080
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3,4-dimethyl-phen...)
Show SMILES Cc1ccc(cc1C)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C17H21NO4/c1-9-4-5-12(6-10(9)2)11(3)14-8-18-16(17(21)22)13(14)7-15(19)20/h4-6,13-14,16,18H,3,7-8H2,1-2H3,(H,19,20)(H,21,22)/t13-,14+,16-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121475
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053088
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-p-tolyl-vinyl)-pyr...)
Show SMILES Cc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO4/c1-9-3-5-11(6-4-9)10(2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053087
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-fluoro-phenyl)-...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(F)cc1
Show InChI InChI=1S/C15H16FNO4/c1-8(9-2-4-10(16)5-3-9)12-7-17-14(15(20)21)11(12)6-13(18)19/h2-5,11-12,14,17H,1,6-7H2,(H,18,19)(H,20,21)/t11-,12+,14-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053064
PNG
((2S,3S,4S)-4-[1-(4-Butoxy-phenyl)-vinyl]-3-carboxy...)
Show SMILES CCCCOc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO5/c1-3-4-9-25-14-7-5-13(6-8-14)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h5-8,15-16,18,20H,2-4,9-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Grik5


(Homo sapiens (Human))
BDBM50060630
PNG
((S)-2-Amino-3-(6-bromo-3,5-dioxo-4,5-dihydro-3H-[1...)
Show SMILES N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7BrN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)


Article DOI: 10.1021/jm9702387
BindingDB Entry DOI: 10.7270/Q28G8MCB
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50031704
PNG
((2S,4R)-2-Amino-4-methyl-pentanedioic acid | (2S,4...)
Show SMILES C[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/s2
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3n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]-kainate as radioligand


J Med Chem 43: 1958-68 (2000)


Article DOI: 10.1021/jm9911682
BindingDB Entry DOI: 10.7270/Q2FX78QB
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121461
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053063
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3-methoxy-phenyl)...)
Show SMILES COc1cccc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO5/c1-9(10-4-3-5-11(6-10)22-2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,1,7-8H2,2H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053059
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-propyl-phenyl)-...)
Show SMILES CCCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H23NO4/c1-3-4-12-5-7-13(8-6-12)11(2)15-10-19-17(18(22)23)14(15)9-16(20)21/h5-8,14-15,17,19H,2-4,9-10H2,1H3,(H,20,21)(H,22,23)/t14-,15+,17-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053068
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-isopropenyl-phe...)
Show SMILES CC(=C)c1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H21NO4/c1-10(2)12-4-6-13(7-5-12)11(3)15-9-19-17(18(22)23)14(15)8-16(20)21/h4-7,14-15,17,19H,1,3,8-9H2,2H3,(H,20,21)(H,22,23)/t14-,15+,17-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50060628
PNG
((S)-2-Amino-3-(6-chloro-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7ClN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)


Article DOI: 10.1021/jm9702387
BindingDB Entry DOI: 10.7270/Q28G8MCB
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/s2
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3.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053073
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO5/c1-9(10-3-5-11(22-2)6-4-10)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,1,7-8H2,2H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053061
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-chloro-phenyl)-...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO4/c1-8(9-2-4-10(16)5-3-9)12-7-17-14(15(20)21)11(12)6-13(18)19/h2-5,11-12,14,17H,1,6-7H2,(H,18,19)(H,20,21)/t11-,12+,14-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50415852
PNG
(CHEMBL1096990)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(NC(=O)CCCN)cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H18N6O5S3/c1-19-12(25-13(17-19)26(15,21)22)18-27(23,24)10-6-4-9(5-7-10)16-11(20)3-2-8-14/h4-7H,2-3,8,14H2,1H3,(H,16,20)(H2,15,21,22)/b18-12-
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4n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121484
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive inhibition of GnRH-stimulated extracellular acidification in cells expressing recombinant rat GnRH receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121484
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053082
PNG
((2S,3S,4S)-4-[1-(4-Butyl-phenyl)-vinyl]-3-carboxym...)
Show SMILES CCCCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO4/c1-3-4-5-13-6-8-14(9-7-13)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h6-9,15-16,18,20H,2-5,10-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50415855
PNG
(CHEMBL382035)
Show SMILES NCCCC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N4O3S2/c12-5-1-2-10(16)14-7-3-4-8-9(6-7)19-11(15-8)20(13,17)18/h3-4,6H,1-2,5,12H2,(H,14,16)(H2,13,17,18)
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5n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121464
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NCC4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50080733
PNG
(4-(4-aminophenylsulfonamido)-1-benzenesulfonamide ...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
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6n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50080684
PNG
(5-(4-aminophenylsulfonylimino)-4-methyl-4,5-dihydr...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8-
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6n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053065
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-phenethyloxy-ph...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C23H25NO5/c1-15(20-14-24-22(23(27)28)19(20)13-21(25)26)17-7-9-18(10-8-17)29-12-11-16-5-3-2-4-6-16/h2-10,19-20,22,24H,1,11-14H2,(H,25,26)(H,27,28)/t19-,20+,22-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121462
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc1NCC1CCCO1
Show InChI InChI=1/C39H49N5O3/c1-25-17-32-33(39(5,6)15-14-38(32,3)4)20-29(25)19-30-12-13-34(47-30)36(45)41-22-27-9-7-10-28(18-27)23-43-37-42-21-26(2)35(44-37)40-24-31-11-8-16-46-31/h7,9-10,12-13,17-18,20-21,31H,8,11,14-16,19,22-24H2,1-6H3,(H,41,45)(H2,40,42,43,44)
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088223
PNG
(CHEMBL61751 | E-2-Amino-4-(3-naphthalen-1-yl-allyl...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1cccc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H19NO4/c19-16(18(22)23)11-14(17(20)21)9-4-8-13-7-3-6-12-5-1-2-10-15(12)13/h1-8,10,14,16H,9,11,19H2,(H,20,21)(H,22,23)/b8-4+/t14-,16+/m1/s1
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7n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]-kainate as radioligand


J Med Chem 43: 1958-68 (2000)


Article DOI: 10.1021/jm9911682
BindingDB Entry DOI: 10.7270/Q2FX78QB
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50060628
PNG
((S)-2-Amino-3-(6-chloro-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7ClN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)


Article DOI: 10.1021/jm9702387
BindingDB Entry DOI: 10.7270/Q28G8MCB
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121466
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(n3)N3CCOCC3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C37H45N5O3/c1-25-19-30-31(37(4,5)13-12-36(30,2)3)22-28(25)21-29-9-10-32(45-29)34(43)39-23-26-7-6-8-27(20-26)24-40-35-38-14-11-33(41-35)42-15-17-44-18-16-42/h6-11,14,19-20,22H,12-13,15-18,21,23-24H2,1-5H3,(H,39,43)(H,38,40,41)
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7.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053089
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-ethyl-phenyl)-v...)
Show SMILES CCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C17H21NO4/c1-3-11-4-6-12(7-5-11)10(2)14-9-18-16(17(21)22)13(14)8-15(19)20/h4-7,13-14,16,18H,2-3,8-9H2,1H3,(H,19,20)(H,21,22)/t13-,14+,16-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50060630
PNG
((S)-2-Amino-3-(6-bromo-3,5-dioxo-4,5-dihydro-3H-[1...)
Show SMILES N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7BrN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)


Article DOI: 10.1021/jm9702387
BindingDB Entry DOI: 10.7270/Q28G8MCB
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088197
PNG
(CHEMBL58590 | E-2-Amino-4-[3-(4-chloro-phenyl)-all...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1ccc(Cl)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H16ClNO4/c15-11-6-4-9(5-7-11)2-1-3-10(13(17)18)8-12(16)14(19)20/h1-2,4-7,10,12H,3,8,16H2,(H,17,18)(H,19,20)/b2-1+/t10-,12+/m1/s1
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8n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]-kainate as radioligand


J Med Chem 43: 1958-68 (2000)


Article DOI: 10.1021/jm9911682
BindingDB Entry DOI: 10.7270/Q2FX78QB
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121472
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Grik5


(Homo sapiens (Human))
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/s2
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8n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Ability of the compound to bind to Ionotropic glutamate receptor kainate (kainate 2) was evaluated.


J Med Chem 43: 1958-68 (2000)


Article DOI: 10.1021/jm9911682
BindingDB Entry DOI: 10.7270/Q2FX78QB
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088197
PNG
(CHEMBL58590 | E-2-Amino-4-[3-(4-chloro-phenyl)-all...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1ccc(Cl)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H16ClNO4/c15-11-6-4-9(5-7-11)2-1-3-10(13(17)18)8-12(16)14(19)20/h1-2,4-7,10,12H,3,8,16H2,(H,17,18)(H,19,20)/b2-1+/t10-,12+/m1/s1
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8n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Ionotropic glutamate receptor ionotropic kainate 1 in HK293 cells using [3H]-kainate as radioligand;...


J Med Chem 43: 1958-68 (2000)


Article DOI: 10.1021/jm9911682
BindingDB Entry DOI: 10.7270/Q2FX78QB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50415851
PNG
(CHEMBL381906)
Show SMILES NCCCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C10H15ClN4O5S2/c11-6-4-7(15-10(16)2-1-3-12)9(22(14,19)20)5-8(6)21(13,17)18/h4-5H,1-3,12H2,(H,15,16)(H2,13,17,18)(H2,14,19,20)
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8.99n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50080728
PNG
(3-{[(4-aminophenyl)sulfonyl]amino}benzenesulfonami...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C12H13N3O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
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8.99n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079035
PNG
(6-Amino-benzothiazole-2-sulfonic acid amide | 6-am...)
Show SMILES Nc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C7H7N3O2S2/c8-4-1-2-5-6(3-4)13-7(10-5)14(9,11)12/h1-3H,8H2,(H2,9,11,12)
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8.99n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053070
PNG
((2S,3S,4S)-3-Carboxymethyl-4-{1-[4-(1-methylene-pr...)
Show SMILES CCC(=C)c1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H23NO4/c1-4-11(2)13-5-7-14(8-6-13)12(3)16-10-20-18(19(23)24)15(16)9-17(21)22/h5-8,15-16,18,20H,2-4,9-10H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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9n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121470
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(C1)Nc1nccc(NCC3CCCO3)n1)C(C)(C)CCC2(C)C
Show InChI InChI=1/C37H51N5O3/c1-24-18-30-31(37(4,5)15-14-36(30,2)3)21-26(24)20-28-11-12-32(45-28)34(43)40-22-25-8-6-9-27(19-25)41-35-38-16-13-33(42-35)39-23-29-10-7-17-44-29/h11-13,16,18,21,25,27,29H,6-10,14-15,17,19-20,22-23H2,1-5H3,(H,40,43)(H2,38,39,41,42)
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00756-4
BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053076
PNG
((2S,3S,4S)-4-(1-Biphenyl-4-yl-vinyl)-3-carboxymeth...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c1-13(18-12-22-20(21(25)26)17(18)11-19(23)24)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17-18,20,22H,1,11-12H2,(H,23,24)(H,25,26)/t17-,18+,20-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Grik5


(Homo sapiens (Human))
BDBM50060636
PNG
((S)-2-Amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2H-py...)
Show SMILES N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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9.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)


Article DOI: 10.1021/jm9702387
BindingDB Entry DOI: 10.7270/Q28G8MCB
More data for this
Ligand-Target Pair
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