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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'rowe' and Initial = 'ba'   
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
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322836
PNG
(CHEMBL1210244 | rac-N-(3-methyl-1-(piperidin-1-yl)...)
Show SMILES CCC(C)(CCN1CCCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H43N3O2/c1-4-29(2,17-20-31-18-11-6-12-19-31)32(28(34)23-13-7-5-8-14-23)22-25-21-24-15-9-10-16-26(24)30(3)27(25)33/h9-10,15-16,21,23H,4-8,11-14,17-20,22H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322837
PNG
(CHEMBL1210311 | rac-N-(1-(4-fluoropiperidin-1-yl)-...)
Show SMILES CCC(C)(CCN1CCC(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H42FN3O2/c1-4-29(2,16-19-32-17-14-25(30)15-18-32)33(28(35)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-26(23)31(3)27(24)34/h8-9,12-13,20,22,25H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322842
PNG
(CHEMBL1210177 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES CN1CCN(CC1)C1(CN(Cc2cc3ccccc3n(C)c2=O)C(=O)C2CCCCC2)CCCCC1
Show InChI InChI=1S/C30H44N4O2/c1-31-17-19-34(20-18-31)30(15-9-4-10-16-30)23-33(29(36)24-11-5-3-6-12-24)22-26-21-25-13-7-8-14-27(25)32(2)28(26)35/h7-8,13-14,21,24H,3-6,9-12,15-20,22-23H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322838
PNG
(CHEMBL1210312 | rac-N-(1-(4,4-difluoropiperidin-1-...)
Show SMILES CCC(C)(CCN1CCC(F)(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H41F2N3O2/c1-4-28(2,14-17-33-18-15-29(30,31)16-19-33)34(27(36)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)32(3)26(24)35/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322834
PNG
(CHEMBL1210242 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCCCC2)c1=O
Show InChI InChI=1S/C28H41N3O2/c1-28(2,16-19-30-17-10-5-11-18-30)31(27(33)22-12-6-4-7-13-22)21-24-20-23-14-8-9-15-25(23)29(3)26(24)32/h8-9,14-15,20,22H,4-7,10-13,16-19,21H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322840
PNG
(CHEMBL1210411 | rac-N-(3-ethyl-1-morpholinopentan-...)
Show SMILES CCC(CC)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H43N3O3/c1-4-29(5-2,15-16-31-17-19-35-20-18-31)32(28(34)23-11-7-6-8-12-23)22-25-21-24-13-9-10-14-26(24)30(3)27(25)33/h9-10,13-14,21,23H,4-8,11-12,15-20,22H2,1-3H3
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n/an/a 103n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322835
PNG
(CHEMBL1210243 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCOCC2)c1=O
Show InChI InChI=1S/C27H39N3O3/c1-27(2,13-14-29-15-17-33-18-16-29)30(26(32)21-9-5-4-6-10-21)20-23-19-22-11-7-8-12-24(22)28(3)25(23)31/h7-8,11-12,19,21H,4-6,9-10,13-18,20H2,1-3H3
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n/an/a 144n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322833
PNG
(CHEMBL1210241 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCCC2)c1=O
Show InChI InChI=1S/C27H39N3O2/c1-27(2,15-18-29-16-9-10-17-29)30(26(32)21-11-5-4-6-12-21)20-23-19-22-13-7-8-14-24(22)28(3)25(23)31/h7-8,13-14,19,21H,4-6,9-12,15-18,20H2,1-3H3
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n/an/a 326n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322841
PNG
(CHEMBL1210412 | rac-N-((1-methyl-2-oxo-1,2-dihydro...)
Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C2(CCN3CCOCC3)CCCCC2)c1=O
Show InChI InChI=1S/C30H43N3O3/c1-31-27-13-7-6-12-25(27)22-26(28(31)34)23-33(29(35)24-10-4-2-5-11-24)30(14-8-3-9-15-30)16-17-32-18-20-36-21-19-32/h6-7,12-13,22,24H,2-5,8-11,14-21,23H2,1H3
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n/an/a 398n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322832
PNG
(CHEMBL1210179 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES CC(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C26H37N3O3/c1-20(12-13-28-14-16-32-17-15-28)29(26(31)21-8-4-3-5-9-21)19-23-18-22-10-6-7-11-24(22)27(2)25(23)30/h6-7,10-11,18,20-21H,3-5,8-9,12-17,19H2,1-2H3
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n/an/a 725n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 785n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50322831
PNG
(CHEMBL1210178 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES CC(CCN1CCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C26H37N3O2/c1-20(14-17-28-15-8-9-16-28)29(26(31)21-10-4-3-5-11-21)19-23-18-22-12-6-7-13-24(22)27(2)25(23)30/h6-7,12-13,18,20-21H,3-5,8-11,14-17,19H2,1-2H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153741
PNG
(1-(2-Hydroxy-3-propyl-4-{4-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CCCc1c(OCCCC(C)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C23H28N4O4/c1-4-6-20-21(13-12-19(16(3)28)22(20)29)30-14-5-7-15(2)31-18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,15,29H,4-7,14H2,1-3H3,(H,24,25,26,27)
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n/an/an/an/a 495n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153740
PNG
(1-(2-Hydroxy-3-propyl-4-{3-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CCCc1c(OCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C21H24N4O4/c1-3-5-18-19(11-10-17(14(2)26)20(18)27)29-13-4-12-28-16-8-6-15(7-9-16)21-22-24-25-23-21/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,23,24,25)
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n/an/an/an/a 1.42E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153742
PNG
(1-[2-Hydroxy-4-(4-{methyl-[4-(2H-tetrazol-5-yl)-ph...)
Show SMILES CCCc1c(OCCCCN(C)c2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C23H29N5O3/c1-4-7-20-21(13-12-19(16(2)29)22(20)30)31-15-6-5-14-28(3)18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,30H,4-7,14-15H2,1-3H3,(H,24,25,26,27)
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n/an/an/an/a 2.01E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153743
PNG
(1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CCC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
Show InChI InChI=1S/C21H24N4O4/c1-3-18(26)17-10-11-19(14(2)20(17)27)29-13-5-4-12-28-16-8-6-15(7-9-16)21-22-24-25-23-21/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,23,24,25)
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n/an/an/an/a 380n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153744
PNG
(4-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-butyric ac...)
Show SMILES CCCc1c(OCCCC(=O)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C22H24N4O5/c1-3-5-18-19(12-11-17(14(2)27)21(18)29)30-13-4-6-20(28)31-16-9-7-15(8-10-16)22-23-25-26-24-22/h7-12,29H,3-6,13H2,1-2H3,(H,23,24,25,26)
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n/an/an/an/a 7.52E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153745
PNG
(CHEMBL183756 | N-{4-[4-(4-Acetyl-3-hydroxy-2-propy...)
Show SMILES CCCc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(=O)NS(C)(=O)=O)C(C)=O
Show InChI InChI=1S/C23H29NO7S/c1-4-7-20-21(13-12-19(16(2)25)22(20)26)31-15-6-5-14-30-18-10-8-17(9-11-18)23(27)24-32(3,28)29/h8-13,26H,4-7,14-15H2,1-3H3,(H,24,27)
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n/an/an/an/a 1.04E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153746
PNG
(1-(2-Hydroxy-3-propyl-4-{4-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CCCc1c(OCCCCNc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C22H27N5O3/c1-3-6-19-20(12-11-18(15(2)28)21(19)29)30-14-5-4-13-23-17-9-7-16(8-10-17)22-24-26-27-25-22/h7-12,23,29H,3-6,13-14H2,1-2H3,(H,24,25,26,27)
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n/an/an/an/a 939n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153747
PNG
(1-(2-Hydroxy-3-propyl-4-{4-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(=O)CC(C)C)c1O
Show InChI InChI=1S/C25H32N4O4/c1-4-7-21-23(13-12-20(24(21)31)22(30)16-17(2)3)33-15-6-5-14-32-19-10-8-18(9-11-19)25-26-28-29-27-25/h8-13,17,31H,4-7,14-16H2,1-3H3,(H,26,27,28,29)
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n/an/an/an/a 421n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153748
PNG
(1-(2-Hydroxy-4-{1-methyl-4-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CCCc1c(OC(C)CCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C23H28N4O4/c1-4-6-20-21(13-12-19(16(3)28)22(20)29)31-15(2)7-5-14-30-18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,15,29H,4-7,14H2,1-3H3,(H,24,25,26,27)
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n/an/an/an/a 918n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153749
PNG
(1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
Show InChI InChI=1S/C20H22N4O4/c1-13-18(10-9-17(14(2)25)19(13)26)28-12-4-3-11-27-16-7-5-15(6-8-16)20-21-23-24-22-20/h5-10,26H,3-4,11-12H2,1-2H3,(H,21,22,23,24)
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n/an/an/an/a 3.37E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153750
PNG
(1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CCCC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
Show InChI InChI=1S/C22H26N4O4/c1-3-6-19(27)18-11-12-20(15(2)21(18)28)30-14-5-4-13-29-17-9-7-16(8-10-17)22-23-25-26-24-22/h7-12,28H,3-6,13-14H2,1-2H3,(H,23,24,25,26)
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n/an/an/an/a 304n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153751
PNG
(1-(3-Bromo-2-hydroxy-4-{4-[4-(2H-tetrazol-5-yl)-ph...)
Show SMILES CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(Br)c1O
Show InChI InChI=1S/C19H19BrN4O4/c1-12(25)15-8-9-16(17(20)18(15)26)28-11-3-2-10-27-14-6-4-13(5-7-14)19-21-23-24-22-19/h4-9,26H,2-3,10-11H2,1H3,(H,21,22,23,24)
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n/an/an/an/a 878n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153752
PNG
(1-(2-Hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-p...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
Show InChI InChI=1S/C23H28N4O4/c1-15(2)14-20(28)19-10-11-21(16(3)22(19)29)31-13-5-4-12-30-18-8-6-17(7-9-18)23-24-26-27-25-23/h6-11,15,29H,4-5,12-14H2,1-3H3,(H,24,25,26,27)
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n/an/an/an/a 229n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50130608
PNG
(2,2,2-Trifluoro-ethanesulfonic acid [4-(2-methoxy-...)
Show SMILES COc1ccccc1Oc1ccc(cc1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-19-6-2-3-7-20(19)30-18-10-8-17(9-11-18)26(14-16-5-4-12-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153753
PNG
(1-(2-Hydroxy-4-{1-methyl-4-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CCCc1c(OC(C)CCC(C)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C24H30N4O4/c1-5-6-21-22(14-13-20(17(4)29)23(21)30)32-16(3)8-7-15(2)31-19-11-9-18(10-12-19)24-25-27-28-26-24/h9-16,30H,5-8H2,1-4H3,(H,25,26,27,28)
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n/an/an/an/a 241n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153755
PNG
(4-[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-butoxy]...)
Show SMILES CCCc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H26O6/c1-3-6-19-20(12-11-18(15(2)23)21(19)24)28-14-5-4-13-27-17-9-7-16(8-10-17)22(25)26/h7-12,24H,3-6,13-14H2,1-2H3,(H,25,26)
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n/an/an/an/a 1.82E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153754
PNG
(1-(2-Hydroxy-3-propyl-4-{5-[4-(2H-tetrazol-5-yl)-p...)
Show SMILES CCCc1c(OCCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C23H28N4O4/c1-3-7-20-21(13-12-19(16(2)28)22(20)29)31-15-6-4-5-14-30-18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,29H,3-7,14-15H2,1-2H3,(H,24,25,26,27)
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n/an/an/an/a 3.31E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153756
PNG
(1-(3-Bromo-2-hydroxy-4-{4-[4-(2H-tetrazol-5-yl)-ph...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(Br)c1O
Show InChI InChI=1S/C22H25BrN4O4/c1-14(2)13-18(28)17-9-10-19(20(23)21(17)29)31-12-4-3-11-30-16-7-5-15(6-8-16)22-24-26-27-25-22/h5-10,14,29H,3-4,11-13H2,1-2H3,(H,24,25,26,27)
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n/an/an/an/a 93n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153757
PNG
(1-(2-Hydroxy-3-propyl-4-{4-[4-(1H-tetrazol-5-yl)-p...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C22H26N4O4/c1-3-6-19-20(12-11-18(15(2)27)21(19)28)30-14-5-4-13-29-17-9-7-16(8-10-17)22-23-25-26-24-22/h7-12,28H,3-6,13-14H2,1-2H3,(H,23,24,25,26)
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n/an/an/an/a 348n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay


Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155694
PNG
(1-{2-Hydroxy-3-methyl-4-[3-(pyridin-4-ylsulfanylme...)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(CSc3ccncc3)c2)c(C)c1O
Show InChI InChI=1S/C25H27NO3S/c1-17(2)13-23(27)22-7-8-24(18(3)25(22)28)29-15-19-5-4-6-20(14-19)16-30-21-9-11-26-12-10-21/h4-12,14,17,28H,13,15-16H2,1-3H3
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n/an/an/an/a 819n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155695
PNG
(1-{2-Hydroxy-3-methyl-4-[2-(pyridin-4-ylsulfanyl)-...)
Show SMILES CC(C)CC(=O)c1ccc(OCc2ccccc2Sc2ccncc2)c(C)c1O
Show InChI InChI=1S/C24H25NO3S/c1-16(2)14-21(26)20-8-9-22(17(3)24(20)27)28-15-18-6-4-5-7-23(18)29-19-10-12-25-13-11-19/h4-13,16,27H,14-15H2,1-3H3
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n/an/an/an/a 677n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155696
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(pyridin-4-ylsulfanyl)-...)
Show SMILES Cc1c(OCc2ccc(Sc3ccncc3)cc2)ccc(C(=O)CC(C)(C)C)c1O
Show InChI InChI=1S/C25H27NO3S/c1-17-23(10-9-21(24(17)28)22(27)15-25(2,3)4)29-16-18-5-7-19(8-6-18)30-20-11-13-26-14-12-20/h5-14,28H,15-16H2,1-4H3
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n/an/an/an/a 578n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155697
PNG
(1-[3-Bromo-2-hydroxy-4-(4-phenoxy-butoxy)-phenyl]-...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2)c(Br)c1O
Show InChI InChI=1S/C21H25BrO4/c1-15(2)14-18(23)17-10-11-19(20(22)21(17)24)26-13-7-6-12-25-16-8-4-3-5-9-16/h3-5,8-11,15,24H,6-7,12-14H2,1-2H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155698
PNG
(1-{3-Bromo-2-hydroxy-4-[4-(pyridin-4-ylsulfanyl)-b...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCSc2ccncc2)c(Br)c1O
Show InChI InChI=1S/C20H24BrNO3S/c1-14(2)13-17(23)16-5-6-18(19(21)20(16)24)25-11-3-4-12-26-15-7-9-22-10-8-15/h5-10,14,24H,3-4,11-13H2,1-2H3
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n/an/an/an/a 676n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155699
PNG
(1-{3-Bromo-4-[4-(2,3-difluoro-phenoxy)-butoxy]-2-h...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2cccc(F)c2F)c(Br)c1O
Show InChI InChI=1S/C21H23BrF2O4/c1-13(2)12-16(25)14-8-9-17(19(22)21(14)26)27-10-3-4-11-28-18-7-5-6-15(23)20(18)24/h5-9,13,26H,3-4,10-12H2,1-2H3
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n/an/an/an/a 558n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155701
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(pyridin-4-ylsulfanyl)-...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCSc2ccncc2)c(C)c1O
Show InChI InChI=1S/C21H27NO3S/c1-15(2)14-19(23)18-6-7-20(16(3)21(18)24)25-12-4-5-13-26-17-8-10-22-11-9-17/h6-11,15,24H,4-5,12-14H2,1-3H3
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n/an/an/an/a 340n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155700
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(pyridin-3-yloxy)-butox...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2cccnc2)c(C)c1O
Show InChI InChI=1S/C21H27NO4/c1-15(2)13-19(23)18-8-9-20(16(3)21(18)24)26-12-5-4-11-25-17-7-6-10-22-14-17/h6-10,14-15,24H,4-5,11-13H2,1-3H3
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n/an/an/an/a 1.72E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155702
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(pyridin-2-yloxy)-butox...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccccn2)c(C)c1O
Show InChI InChI=1S/C21H27NO4/c1-15(2)14-18(23)17-9-10-19(16(3)21(17)24)25-12-6-7-13-26-20-8-4-5-11-22-20/h4-5,8-11,15,24H,6-7,12-14H2,1-3H3
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n/an/an/an/a 3.27E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50130608
PNG
(2,2,2-Trifluoro-ethanesulfonic acid [4-(2-methoxy-...)
Show SMILES COc1ccccc1Oc1ccc(cc1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-19-6-2-3-7-20(19)30-18-10-8-17(9-11-18)26(14-16-5-4-12-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155703
PNG
(1-{2-Hydroxy-3-methyl-4-[3-(pyridin-4-ylsulfanyl)-...)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(Sc3ccncc3)c2)c(C)c1O
Show InChI InChI=1S/C24H25NO3S/c1-16(2)13-22(26)21-7-8-23(17(3)24(21)27)28-15-18-5-4-6-20(14-18)29-19-9-11-25-12-10-19/h4-12,14,16,27H,13,15H2,1-3H3
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n/an/an/an/a 890n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153757
PNG
(1-(2-Hydroxy-3-propyl-4-{4-[4-(1H-tetrazol-5-yl)-p...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C22H26N4O4/c1-3-6-19-20(12-11-18(15(2)27)21(19)28)30-14-5-4-13-29-17-9-7-16(8-10-17)22-23-25-26-24-22/h7-12,28H,3-6,13-14H2,1-2H3,(H,23,24,25,26)
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n/an/an/an/a 348n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155704
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(pyridin-4-yloxy)-butox...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccncc2)c(C)c1O
Show InChI InChI=1S/C21H27NO4/c1-15(2)14-19(23)18-6-7-20(16(3)21(18)24)26-13-5-4-12-25-17-8-10-22-11-9-17/h6-11,15,24H,4-5,12-14H2,1-3H3
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n/an/an/an/a 3.86E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155705
PNG
(1-[2-Hydroxy-3-methyl-4-(4-phenoxy-butoxy)-phenyl]...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2)c(C)c1O
Show InChI InChI=1S/C22H28O4/c1-16(2)15-20(23)19-11-12-21(17(3)22(19)24)26-14-8-7-13-25-18-9-5-4-6-10-18/h4-6,9-12,16,24H,7-8,13-15H2,1-3H3
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n/an/an/an/a 4.55E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155706
PNG
(1-{4-[4-(2,3-Difluoro-phenoxy)-butoxy]-2-hydroxy-3...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2cccc(F)c2F)c(C)c1O
Show InChI InChI=1S/C22H26F2O4/c1-14(2)13-18(25)16-9-10-19(15(3)22(16)26)27-11-4-5-12-28-20-8-6-7-17(23)21(20)24/h6-10,14,26H,4-5,11-13H2,1-3H3
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n/an/an/an/a 384n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50155707
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(4-[1,2,4]triazol-1-yl-...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-n2cncn2)c(C)c1O
Show InChI InChI=1S/C24H29N3O4/c1-17(2)14-22(28)21-10-11-23(18(3)24(21)29)31-13-5-4-12-30-20-8-6-19(7-9-20)27-16-25-15-26-27/h6-11,15-17,29H,4-5,12-14H2,1-3H3
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n/an/an/an/a 4.24E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50153752
PNG
(1-(2-Hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-p...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
Show InChI InChI=1S/C23H28N4O4/c1-15(2)14-20(28)19-10-11-21(16(3)22(19)29)31-13-5-4-12-30-18-8-6-17(7-9-18)23-24-26-27-25-23/h6-11,15,29H,4-5,12-14H2,1-3H3,(H,24,25,26,27)
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n/an/an/an/a 229n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay


Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair
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