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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'rodriguez' and Initial = 'd'   
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50351257
PNG
(CHEMBL1818527)
Show SMILES COc1ccc(cc1)C(SC[C@H](N)CO)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m1/s1
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n/an/a 127n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50351253
PNG
(CHEMBL1818528)
Show SMILES COc1ccc(cc1)C(SC[C@@H](N)CO)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50351254
PNG
(CHEMBL1818529)
Show SMILES COc1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H23NOS/c1-24-21-14-12-20(13-15-21)22(25-17-16-23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16-17,23H2,1H3
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n/an/a 136n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50351255
PNG
(CHEMBL1818525)
Show SMILES COc1ccc(cc1)C(SC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM23823
PNG
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)
Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50351256
PNG
(CHEMBL1818526)
Show SMILES N[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H23NOS/c23-21(16-24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17,23H2/t21-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162556
PNG
(6,7-Dichloro-2-isopropyl-5-[3-(pyridin-4-ylsulfany...)
Show SMILES CC(C)C1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O
Show InChI InChI=1S/C25H23Cl2NO2S/c1-15(2)20-11-18-12-21(23(26)24(27)22(18)25(20)29)30-13-16-4-3-5-17(10-16)14-31-19-6-8-28-9-7-19/h3-10,12,15,20H,11,13-14H2,1-2H3
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n/an/an/an/a 839n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162558
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-{4-[4-(2H-te...)
Show SMILES CC1(Cc2cc(OCCCCOc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C26H28Cl2N4O3/c1-26(18-6-2-3-7-18)15-17-14-20(22(27)23(28)21(17)24(26)33)35-13-5-4-12-34-19-10-8-16(9-11-19)25-29-31-32-30-25/h8-11,14,18H,2-7,12-13,15H2,1H3,(H,29,30,31,32)
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n/an/an/an/a 225n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162557
PNG
((+/-)-4-(6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo...)
Show SMILES CC1(Cc2cc(OCc3ccc(cc3)C(O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C23H22Cl2O4/c1-23(16-4-2-3-5-16)11-15-10-17(19(24)20(25)18(15)21(23)26)29-12-13-6-8-14(9-7-13)22(27)28/h6-10,16H,2-5,11-12H2,1H3,(H,27,28)
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n/an/an/an/a 892n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162559
PNG
(6,7-Dimethyl-2-propyl-5-[3-(pyridin-4-ylsulfanylme...)
Show SMILES CCCC1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(C)c(C)c2C1=O
Show InChI InChI=1S/C27H29NO2S/c1-4-6-22-14-23-15-25(18(2)19(3)26(23)27(22)29)30-16-20-7-5-8-21(13-20)17-31-24-9-11-28-12-10-24/h5,7-13,15,22H,4,6,14,16-17H2,1-3H3
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n/an/an/an/a 291n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162560
PNG
(CHEMBL369526 | N-[4-(6,7-Dichloro-2-cyclopentyl-2-...)
Show SMILES CC1(Cc2cc(OCc3ccc(cc3)C(=O)NS(C)(=O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C24H25Cl2NO5S/c1-24(17-5-3-4-6-17)12-16-11-18(20(25)21(26)19(16)22(24)28)32-13-14-7-9-15(10-8-14)23(29)27-33(2,30)31/h7-11,17H,3-6,12-13H2,1-2H3,(H,27,29)
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n/an/an/an/a 515n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162561
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-[3-(2H-tetra...)
Show SMILES CC1(Cc2cc(OCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C19H22Cl2N4O2/c1-19(12-5-2-3-6-12)10-11-9-13(16(20)17(21)15(11)18(19)26)27-8-4-7-14-22-24-25-23-14/h9,12H,2-8,10H2,1H3,(H,22,23,24,25)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162562
PNG
(6,7-Dichloro-2-methyl-2-phenyl-5-[4-(2H-tetrazol-5...)
Show SMILES CC1(Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)c1ccccc1
Show InChI InChI=1S/C24H18Cl2N4O2/c1-24(17-5-3-2-4-6-17)12-16-11-18(20(25)21(26)19(16)22(24)31)32-13-14-7-9-15(10-8-14)23-27-29-30-28-23/h2-11H,12-13H2,1H3,(H,27,28,29,30)
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n/an/an/an/a 629n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162563
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-{3-[4-(2H-te...)
Show SMILES CC1(Cc2cc(OCCCOc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C25H26Cl2N4O3/c1-25(17-5-2-3-6-17)14-16-13-19(21(26)22(27)20(16)23(25)32)34-12-4-11-33-18-9-7-15(8-10-18)24-28-30-31-29-24/h7-10,13,17H,2-6,11-12,14H2,1H3,(H,28,29,30,31)
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n/an/an/an/a 270n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162564
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-[4-(2H-tetra...)
Show SMILES CC1(Cc2cc(OCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C20H24Cl2N4O2/c1-20(13-6-2-3-7-13)11-12-10-14(17(21)18(22)16(12)19(20)27)28-9-5-4-8-15-23-25-26-24-15/h10,13H,2-9,11H2,1H3,(H,23,24,25,26)
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n/an/an/an/a 589n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162565
PNG
(6,7-Dichloro-2-propyl-5-[3-(pyridin-4-ylsulfanylme...)
Show SMILES CCCC1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O
Show InChI InChI=1S/C25H23Cl2NO2S/c1-2-4-18-12-19-13-21(23(26)24(27)22(19)25(18)29)30-14-16-5-3-6-17(11-16)15-31-20-7-9-28-10-8-20/h3,5-11,13,18H,2,4,12,14-15H2,1H3
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n/an/an/an/a 186n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162567
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-{2-[4-(2H-te...)
Show SMILES CC1(Cc2cc(CCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C24H24Cl2N4O/c1-24(18-4-2-3-5-18)13-17-12-16(20(25)21(26)19(17)22(24)31)11-8-14-6-9-15(10-7-14)23-27-29-30-28-23/h6-7,9-10,12,18H,2-5,8,11,13H2,1H3,(H,27,28,29,30)
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n/an/an/an/a 1.16E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162566
PNG
(6,7-Dichloro-2-propyl-5-[4-(2H-tetrazol-5-yl)-benz...)
Show SMILES CCCC1Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O
Show InChI InChI=1S/C20H18Cl2N4O2/c1-2-3-13-8-14-9-15(17(21)18(22)16(14)19(13)27)28-10-11-4-6-12(7-5-11)20-23-25-26-24-20/h4-7,9,13H,2-3,8,10H2,1H3,(H,23,24,25,26)
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n/an/an/an/a 282n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162568
PNG
(6,7-Dichloro-2-cyclopentyl-5-[4-(2H-tetrazol-5-yl)...)
Show SMILES Clc1c2C(=O)C(Cc2cc(OCc2ccc(cc2)-c2nnn[nH]2)c1Cl)C1CCCC1
Show InChI InChI=1S/C22H20Cl2N4O2/c23-19-17(30-11-12-5-7-14(8-6-12)22-25-27-28-26-22)10-15-9-16(13-3-1-2-4-13)21(29)18(15)20(19)24/h5-8,10,13,16H,1-4,9,11H2,(H,25,26,27,28)
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n/an/an/an/a 122n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162570
PNG
(2-(6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-indan...)
Show SMILES CC1(Cc2cc(OCC(=O)Nc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C24H23Cl2N5O3/c1-24(15-4-2-3-5-15)11-14-10-17(20(25)21(26)19(14)22(24)33)34-12-18(32)27-16-8-6-13(7-9-16)23-28-30-31-29-23/h6-10,15H,2-5,11-12H2,1H3,(H,27,32)(H,28,29,30,31)
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n/an/an/an/a 600n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162569
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-[4-(2H-tetra...)
Show SMILES CC1(Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-23(16-4-2-3-5-16)11-15-10-17(19(24)20(25)18(15)21(23)30)31-12-13-6-8-14(9-7-13)22-26-28-29-27-22/h6-10,16H,2-5,11-12H2,1H3,(H,26,27,28,29)
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n/an/an/an/a 223n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162573
PNG
(6,7-Dichloro-2-isopropyl-5-[4-(2H-tetrazol-5-yl)-b...)
Show SMILES CC(C)C1Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O
Show InChI InChI=1S/C20H18Cl2N4O2/c1-10(2)14-7-13-8-15(17(21)18(22)16(13)19(14)27)28-9-11-3-5-12(6-4-11)20-23-25-26-24-20/h3-6,8,10,14H,7,9H2,1-2H3,(H,23,24,25,26)
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n/an/an/an/a 195n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162571
PNG
(CHEMBL180455 | N-Acetyl-4-(6,7-dichloro-2-cyclopen...)
Show SMILES CC(=O)NC(=O)c1ccc(COc2cc3CC(C)(C4CCCC4)C(=O)c3c(Cl)c2Cl)cc1
Show InChI InChI=1S/C25H25Cl2NO4/c1-14(29)28-24(31)16-9-7-15(8-10-16)13-32-19-11-17-12-25(2,18-5-3-4-6-18)23(30)20(17)22(27)21(19)26/h7-11,18H,3-6,12-13H2,1-2H3,(H,28,29,31)
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n/an/an/an/a 442n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162572
PNG
(6,7-Dichloro-2-cyclopentyl-5-[3-(pyridin-4-ylsulfa...)
Show SMILES Clc1c2C(=O)C(Cc2cc(OCc2cccc(CSc3ccncc3)c2)c1Cl)C1CCCC1
Show InChI InChI=1S/C27H25Cl2NO2S/c28-25-23(14-20-13-22(19-6-1-2-7-19)27(31)24(20)26(25)29)32-15-17-4-3-5-18(12-17)16-33-21-8-10-30-11-9-21/h3-5,8-12,14,19,22H,1-2,6-7,13,15-16H2
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n/an/an/an/a 165n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162577
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-{2-[4-(2H-te...)
Show SMILES CC1(Cc2cc(OCCOc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C24H24Cl2N4O3/c1-24(16-4-2-3-5-16)13-15-12-18(20(25)21(26)19(15)22(24)31)33-11-10-32-17-8-6-14(7-9-17)23-27-29-30-28-23/h6-9,12,16H,2-5,10-11,13H2,1H3,(H,27,28,29,30)
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n/an/an/an/a 276n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162575
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-[3-(pyridin-...)
Show SMILES CC1(Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C28H27Cl2NO2S/c1-28(21-7-2-3-8-21)15-20-14-23(25(29)26(30)24(20)27(28)32)33-16-18-5-4-6-19(13-18)17-34-22-9-11-31-12-10-22/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3
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n/an/an/an/a 562n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162576
PNG
(2-Butyl-6,7-dichloro-2-cyclopentyl-5-[4-(2H-tetraz...)
Show SMILES CCCCC1(Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C26H28Cl2N4O2/c1-2-3-12-26(19-6-4-5-7-19)14-18-13-20(22(27)23(28)21(18)24(26)33)34-15-16-8-10-17(11-9-16)25-29-31-32-30-25/h8-11,13,19H,2-7,12,14-15H2,1H3,(H,29,30,31,32)
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n/an/an/an/a 1.09E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162574
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-[3-(2H-tetra...)
Show SMILES CC1(Cc2cc(OCc3cccc(c3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-23(16-7-2-3-8-16)11-15-10-17(19(24)20(25)18(15)21(23)30)31-12-13-5-4-6-14(9-13)22-26-28-29-27-22/h4-6,9-10,16H,2-3,7-8,11-12H2,1H3,(H,26,27,28,29)
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n/an/an/an/a 371n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162579
PNG
(2-Cyclopentyl-6,7-dimethyl-5-[3-(pyridin-4-ylsulfa...)
Show SMILES Cc1c2C(=O)C(Cc2cc(OCc2cccc(CSc3ccncc3)c2)c1C)C1CCCC1
Show InChI InChI=1S/C29H31NO2S/c1-19-20(2)28-24(15-26(29(28)31)23-8-3-4-9-23)16-27(19)32-17-21-6-5-7-22(14-21)18-33-25-10-12-30-13-11-25/h5-7,10-14,16,23,26H,3-4,8-9,15,17-18H2,1-2H3
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n/an/an/an/a 596n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162578
PNG
(6,7-Dichloro-2,2-dimethyl-5-[4-(2H-tetrazol-5-yl)-...)
Show SMILES CC1(C)Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O
Show InChI InChI=1S/C19H16Cl2N4O2/c1-19(2)8-12-7-13(15(20)16(21)14(12)17(19)26)27-9-10-3-5-11(6-4-10)18-22-24-25-23-18/h3-7H,8-9H2,1-2H3,(H,22,23,24,25)
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n/an/an/an/a 782n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50162580
PNG
(6,7-Dichloro-2-cyclopentyl-2-methyl-5-[5-(2H-tetra...)
Show SMILES CC1(Cc2cc(OCCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C21H26Cl2N4O2/c1-21(14-7-4-5-8-14)12-13-11-15(18(22)19(23)17(13)20(21)28)29-10-6-2-3-9-16-24-26-27-25-16/h11,14H,2-10,12H2,1H3,(H,24,25,26,27)
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n/an/an/an/a 761n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170306
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-[4'-(1H-tetrazo...)
Show SMILES CCCc1c(OCc2cccc(c2)-c2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
Show InChI InChI=1S/C30H33N5O/c1-5-7-26-25-16-17-35(20-30(2,3)4)27(25)14-15-28(26)36-19-21-8-6-9-24(18-21)22-10-12-23(13-11-22)29-31-33-34-32-29/h6,8-18H,5,7,19-20H2,1-4H3,(H,31,32,33,34)
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n/an/an/an/a 318n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170307
PNG
(3-(2,2-Dimethyl-propyl)-7-propyl-6-{4-[4-(1H-tetra...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2c(CC(C)(C)C)noc12
Show InChI InChI=1S/C26H33N5O3/c1-5-8-21-23(14-13-20-22(17-26(2,3)4)29-34-24(20)21)33-16-7-6-15-32-19-11-9-18(10-12-19)25-27-30-31-28-25/h9-14H,5-8,15-17H2,1-4H3,(H,27,28,30,31)
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n/an/an/an/a 788n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170308
PNG
(1-(2,2-Dimethyl-propyl)-5-{4-[4-(1H-tetrazol-5-yl)...)
Show SMILES CC(C)(C)Cn1ccc2cc(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
Show InChI InChI=1S/C24H29N5O2/c1-24(2,3)17-29-13-12-19-16-21(10-11-22(19)29)31-15-5-4-14-30-20-8-6-18(7-9-20)23-25-27-28-26-23/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,25,26,27,28)
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n/an/an/an/a 3.59E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170309
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-[3-(1H-tetrazol...)
Show SMILES CCCc1c(Oc2cccc(c2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
Show InChI InChI=1S/C23H27N5O/c1-5-7-19-18-12-13-28(15-23(2,3)4)20(18)10-11-21(19)29-17-9-6-8-16(14-17)22-24-26-27-25-22/h6,8-14H,5,7,15H2,1-4H3,(H,24,25,26,27)
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n/an/an/an/a 134n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170310
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetra...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ncc12
Show InChI InChI=1S/C26H34N6O2/c1-5-8-21-22-17-27-32(18-26(2,3)4)23(22)13-14-24(21)34-16-7-6-15-33-20-11-9-19(10-12-20)25-28-30-31-29-25/h9-14,17H,5-8,15-16,18H2,1-4H3,(H,28,29,30,31)
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n/an/an/an/a 984n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170312
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetra...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)nnc12
Show InChI InChI=1S/C25H33N7O2/c1-5-8-20-22(14-13-21-23(20)26-31-32(21)17-25(2,3)4)34-16-7-6-15-33-19-11-9-18(10-12-19)24-27-29-30-28-24/h9-14H,5-8,15-17H2,1-4H3,(H,27,28,29,30)
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n/an/an/an/a 936n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 expressed in HEK293 cells done for 1 ...


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170311
PNG
(1,4-Dipropyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-b...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CCC)ccc12
Show InChI InChI=1S/C25H31N5O2/c1-3-7-22-21-14-16-30(15-4-2)23(21)12-13-24(22)32-18-6-5-17-31-20-10-8-19(9-11-20)25-26-28-29-27-25/h8-14,16H,3-7,15,17-18H2,1-2H3,(H,26,27,28,29)
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n/an/an/an/a 652n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170313
PNG
(4-Bromo-1-(2,2-dimethyl-propyl)-5-{4-[4-(1H-tetraz...)
Show SMILES CC(C)(C)Cn1ccc2c(Br)c(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
Show InChI InChI=1S/C24H28BrN5O2/c1-24(2,3)16-30-13-12-19-20(30)10-11-21(22(19)25)32-15-5-4-14-31-18-8-6-17(7-9-18)23-26-28-29-27-23/h6-13H,4-5,14-16H2,1-3H3,(H,26,27,28,29)
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n/an/an/an/a 2.26E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170314
PNG
(1-(2,2-Dimethyl-propyl)-4-methyl-5-{4-[4-(1H-tetra...)
Show SMILES Cc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
Show InChI InChI=1S/C25H31N5O2/c1-18-21-13-14-30(17-25(2,3)4)22(21)11-12-23(18)32-16-6-5-15-31-20-9-7-19(8-10-20)24-26-28-29-27-24/h7-14H,5-6,15-17H2,1-4H3,(H,26,27,28,29)
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n/an/an/an/a 1.07E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170315
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetra...)
Show SMILES CCCc1c2CCN(CC(C)(C)C)c2ccc1OCCCCOc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C27H37N5O2/c1-5-8-23-22-15-16-32(19-27(2,3)4)24(22)13-14-25(23)34-18-7-6-17-33-21-11-9-20(10-12-21)26-28-30-31-29-26/h9-14H,5-8,15-19H2,1-4H3,(H,28,29,30,31)
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n/an/an/an/a 1.17E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170317
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-{3-[4-(1H-tetra...)
Show SMILES CCCc1c(OCc2cccc(Oc3ccc(cc3)-c3nnn[nH]3)c2)ccc2n(CC(C)(C)C)ccc12
Show InChI InChI=1S/C30H33N5O2/c1-5-7-26-25-16-17-35(20-30(2,3)4)27(25)14-15-28(26)36-19-21-8-6-9-24(18-21)37-23-12-10-22(11-13-23)29-31-33-34-32-29/h6,8-18H,5,7,19-20H2,1-4H3,(H,31,32,33,34)
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n/an/an/an/a 451n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170316
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetra...)
Show SMILES CCCc1c(OCc2ccc(Oc3ccc(cc3)-c3nnn[nH]3)cc2)ccc2n(CC(C)(C)C)ccc12
Show InChI InChI=1S/C30H33N5O2/c1-5-6-26-25-17-18-35(20-30(2,3)4)27(25)15-16-28(26)36-19-21-7-11-23(12-8-21)37-24-13-9-22(10-14-24)29-31-33-34-32-29/h7-18H,5-6,19-20H2,1-4H3,(H,31,32,33,34)
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n/an/an/an/a 879n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170319
PNG
(1-Pentyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-pheno...)
Show SMILES CCCCCn1ccc2c(CCC)c(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
Show InChI InChI=1S/C27H35N5O2/c1-3-5-6-17-32-18-16-23-24(9-4-2)26(15-14-25(23)32)34-20-8-7-19-33-22-12-10-21(11-13-22)27-28-30-31-29-27/h10-16,18H,3-9,17,19-20H2,1-2H3,(H,28,29,30,31)
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n/an/an/an/a 598n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170318
PNG
(1-(2,2-Dimethyl-propyl)-2-methyl-4-propyl-5-{4-[4-...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)c(C)cc12
Show InChI InChI=1S/C28H37N5O2/c1-6-9-23-24-18-20(2)33(19-28(3,4)5)25(24)14-15-26(23)35-17-8-7-16-34-22-12-10-21(11-13-22)27-29-31-32-30-27/h10-15,18H,6-9,16-17,19H2,1-5H3,(H,29,30,31,32)
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n/an/an/an/a 559n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170320
PNG
(1-Isopropyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-ph...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(ccc12)C(C)C
Show InChI InChI=1S/C25H31N5O2/c1-4-7-22-21-14-15-30(18(2)3)23(21)12-13-24(22)32-17-6-5-16-31-20-10-8-19(9-11-20)25-26-28-29-27-25/h8-15,18H,4-7,16-17H2,1-3H3,(H,26,27,28,29)
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n/an/an/an/a 1.13E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170321
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetra...)
Show SMILES CCCc1c(OC\C=C\COc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
Show InChI InChI=1S/C27H33N5O2/c1-5-8-23-22-15-16-32(19-27(2,3)4)24(22)13-14-25(23)34-18-7-6-17-33-21-11-9-20(10-12-21)26-28-30-31-29-26/h6-7,9-16H,5,8,17-19H2,1-4H3,(H,28,29,30,31)/b7-6+
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n/an/an/an/a 779n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
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 stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50170322
PNG
(1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetra...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)cnc12
Show InChI InChI=1S/C26H34N6O2/c1-5-8-21-23(14-13-22-24(21)27-18-32(22)17-26(2,3)4)34-16-7-6-15-33-20-11-9-19(10-12-20)25-28-30-31-29-25/h9-14,18H,5-8,15-17H2,1-4H3,(H,28,29,30,31)
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n/an/an/an/a 6.37E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr


Bioorg Med Chem Lett 15: 4068-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.017
BindingDB Entry DOI: 10.7270/Q2Q52P6K
More data for this
Ligand-Target Pair
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