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Compile Data Set for Download or QSAR

Found 116 hits Enz. Inhib. hit(s) with all data for entry = 50034584   
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
Metabotropic glutamate receptor


(RAT)
BDBM50364723
PNG
(CHEMBL1951662)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C18H14BrN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364722
PNG
(CHEMBL1951661)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C18H14ClN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364720
PNG
(CHEMBL1951659)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N3OS/c1-12-4-6-13(7-5-12)22-11-9-14-16-15(21(2)3)8-10-20-18(16)24-17(14)19(22)23/h4-11H,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364710
PNG
(CHEMBL1951882)
Show SMILES Brc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C19H14BrN3OS/c20-11-1-5-13(6-2-11)23-10-8-14-16-15(22-12-3-4-12)7-9-21-18(16)25-17(14)19(23)24/h1-2,5-10,12H,3-4H2,(H,21,22)
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3.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364692
PNG
(CHEMBL1951683)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C20H17N3O2S/c1-25-14-6-4-13(5-7-14)23-11-9-15-17-16(22-12-2-3-12)8-10-21-19(17)26-18(15)20(23)24/h4-12H,2-3H2,1H3,(H,21,22)
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364700
PNG
(CHEMBL1951872)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C17H12BrN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)
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6.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364731
PNG
(CHEMBL1951670)
Show SMILES COc1ccc(cc1)-n1ccc2c3c(OC)ccnc3sc2c1=O
Show InChI InChI=1S/C18H14N2O3S/c1-22-12-5-3-11(4-6-12)20-10-8-13-15-14(23-2)7-9-19-17(15)24-16(13)18(20)21/h3-10H,1-2H3
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6.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364708
PNG
(CHEMBL1951880)
Show SMILES Clc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C19H14ClN3OS/c20-11-1-5-13(6-2-11)23-10-8-14-16-15(22-12-3-4-12)7-9-21-18(16)25-17(14)19(23)24/h1-2,5-10,12H,3-4H2,(H,21,22)
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7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364709
PNG
(CHEMBL1951881)
Show SMILES CCNc1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C18H14BrN3OS/c1-2-20-14-7-9-21-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,2H2,1H3,(H,20,21)
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7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364690
PNG
(CHEMBL1951681)
Show SMILES CCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N3O2S/c1-3-20-15-8-10-21-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-2)7-5-12/h4-11H,3H2,1-2H3,(H,20,21)
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8.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364707
PNG
(CHEMBL1951879)
Show SMILES CCNc1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C18H14ClN3OS/c1-2-20-14-7-9-21-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,2H2,1H3,(H,20,21)
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9.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364705
PNG
(CHEMBL1951877)
Show SMILES CCNc1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N3OS/c1-3-20-15-8-10-21-18-16(15)14-9-11-22(19(23)17(14)24-18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,20,21)
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9.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364726
PNG
(CHEMBL1951665)
Show SMILES CN(C)c1ccnc2sc3c(ccn(C4CCCCC4)c3=O)c12
Show InChI InChI=1S/C18H21N3OS/c1-20(2)14-8-10-19-17-15(14)13-9-11-21(18(22)16(13)23-17)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364729
PNG
(CHEMBL1951668)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12
Show InChI InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-15-13(9-11)21-10-25-15/h3-10H,1-2H3
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364706
PNG
(CHEMBL1951878)
Show SMILES Cc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C20H17N3OS/c1-12-2-6-14(7-3-12)23-11-9-15-17-16(22-13-4-5-13)8-10-21-19(17)25-18(15)20(23)24/h2-3,6-11,13H,4-5H2,1H3,(H,21,22)
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364730
PNG
(CHEMBL1951669)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc5ncsc5c4)c3=O)c12
Show InChI InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-13-15(9-11)25-10-21-13/h3-10H,1-2H3
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364714
PNG
(CHEMBL1951886)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3ncnc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C19H16N4O2S/c1-25-13-6-4-12(5-7-13)23-9-8-14-15-17(22-11-2-3-11)20-10-21-18(15)26-16(14)19(23)24/h4-11H,2-3H2,1H3,(H,20,21,22)
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364699
PNG
(CHEMBL1951690)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C17H12ClN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364727
PNG
(CHEMBL1951666)
Show SMILES COc1ccc(cc1F)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H16FN3O2S/c1-22(2)14-6-8-21-18-16(14)12-7-9-23(19(24)17(12)26-18)11-4-5-15(25-3)13(20)10-11/h4-10H,1-3H3
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364738
PNG
(CHEMBL1951677)
Show SMILES COc1ccnc2sc3c(ccn(C4CCCCC4)c3=O)c12
Show InChI InChI=1S/C17H18N2O2S/c1-21-13-7-9-18-16-14(13)12-8-10-19(17(20)15(12)22-16)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364697
PNG
(CHEMBL1951688)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H15N3OS/c1-11-3-5-12(6-4-11)21-10-8-13-15-14(19-2)7-9-20-17(15)23-16(13)18(21)22/h3-10H,1-2H3,(H,19,20)
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364719
PNG
(CHEMBL1951658)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H17N3O2S/c1-21(2)15-8-10-20-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-3)7-5-12/h4-11H,1-3H3
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364741
PNG
(CHEMBL1951680)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
Show InChI InChI=1S/C18H15N3O2S/c1-19-14-7-9-20-17-15(14)13-8-10-21(18(22)16(13)24-17)11-3-5-12(23-2)6-4-11/h3-10H,1-2H3,(H,19,20)
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364725
PNG
(CHEMBL1951664)
Show SMILES CCc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C20H19N3OS/c1-4-13-5-7-14(8-6-13)23-12-10-15-17-16(22(2)3)9-11-21-19(17)25-18(15)20(23)24/h5-12H,4H2,1-3H3
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364728
PNG
(CHEMBL1951667)
Show SMILES COc1ccc(c(F)c1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H16FN3O2S/c1-22(2)15-6-8-21-18-16(15)12-7-9-23(19(24)17(12)26-18)14-5-4-11(25-3)10-13(14)20/h4-10H,1-3H3
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364711
PNG
(CHEMBL1951883)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3ncnc(N(C)C)c23)c1=O
Show InChI InChI=1S/C18H16N4O2S/c1-21(2)16-14-13-8-9-22(11-4-6-12(24-3)7-5-11)18(23)15(13)25-17(14)20-10-19-16/h4-10H,1-3H3
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364718
PNG
(CHEMBL1951890)
Show SMILES Cc1ccc(cc1)-n1ccc2c(sc3ncnc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C19H16N4OS/c1-11-2-6-13(7-3-11)23-9-8-14-15-17(22-12-4-5-12)20-10-21-18(15)25-16(14)19(23)24/h2-3,6-10,12H,4-5H2,1H3,(H,20,21,22)
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22n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364691
PNG
(CHEMBL1951682)
Show SMILES CCCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
Show InChI InChI=1S/C20H19N3O2S/c1-3-10-21-16-8-11-22-19-17(16)15-9-12-23(20(24)18(15)26-19)13-4-6-14(25-2)7-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364715
PNG
(CHEMBL1951887)
Show SMILES CN(C)c1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-9-8-13-14-16(21(2)3)19-10-20-17(14)24-15(13)18(22)23/h4-10H,1-3H3
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364721
PNG
(CHEMBL1951660)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(F)cc4)c3=O)c12
Show InChI InChI=1S/C18H14FN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3
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29n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364703
PNG
(CHEMBL1951875)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4F)c3=O)c12
Show InChI InChI=1S/C18H14FN3O2S/c1-20-13-5-7-21-17-15(13)11-6-8-22(18(23)16(11)25-17)14-4-3-10(24-2)9-12(14)19/h3-9H,1-2H3,(H,20,21)
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32n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364713
PNG
(CHEMBL1951885)
Show SMILES CCNc1ncnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4O2S/c1-3-19-16-14-13-8-9-22(11-4-6-12(24-2)7-5-11)18(23)15(13)25-17(14)21-10-20-16/h4-10H,3H2,1-2H3,(H,19,20,21)
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32n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364735
PNG
(CHEMBL1951674)
Show SMILES COc1ccc(c(C)c1)-n1ccc2c3c(OC)ccnc3sc2c1=O
Show InChI InChI=1S/C19H16N2O3S/c1-11-10-12(23-2)4-5-14(11)21-9-7-13-16-15(24-3)6-8-20-18(16)25-17(13)19(21)22/h4-10H,1-3H3
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32n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364702
PNG
(CHEMBL1951874)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(OC)c(F)c4)c3=O)c12
Show InChI InChI=1S/C18H14FN3O2S/c1-20-13-5-7-21-17-15(13)11-6-8-22(18(23)16(11)25-17)10-3-4-14(24-2)12(19)9-10/h3-9H,1-2H3,(H,20,21)
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40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364736
PNG
(CHEMBL1951675)
Show SMILES CCc1ccc(cc1)-n1ccc2c(sc3nccc(OC)c23)c1=O
Show InChI InChI=1S/C19H16N2O2S/c1-3-12-4-6-13(7-5-12)21-11-9-14-16-15(23-2)8-10-20-18(16)24-17(14)19(21)22/h4-11H,3H2,1-2H3
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42n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364717
PNG
(CHEMBL1951889)
Show SMILES CCNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-3-19-16-14-13-8-9-22(12-6-4-11(2)5-7-12)18(23)15(13)24-17(14)21-10-20-16/h4-10H,3H2,1-2H3,(H,19,20,21)
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52n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364724
PNG
(CHEMBL1951663)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(cc4)C#N)c3=O)c12
Show InChI InChI=1S/C19H14N4OS/c1-22(2)15-7-9-21-18-16(15)14-8-10-23(19(24)17(14)25-18)13-5-3-12(11-20)4-6-13/h3-10H,1-2H3
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56n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364696
PNG
(CHEMBL1951687)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)CCO)c23)c1=O
Show InChI InChI=1S/C20H19N3O3S/c1-22(11-12-24)16-7-9-21-19-17(16)15-8-10-23(20(25)18(15)27-19)13-3-5-14(26-2)6-4-13/h3-10,24H,11-12H2,1-2H3
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63n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364704
PNG
(CHEMBL1951876)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12
Show InChI InChI=1S/C18H12N4OS2/c1-19-12-4-6-20-17-15(12)11-5-7-22(18(23)16(11)25-17)10-2-3-14-13(8-10)21-9-24-14/h2-9H,1H3,(H,19,20)
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71n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364712
PNG
(CHEMBL1951884)
Show SMILES CNc1ncnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
Show InChI InChI=1S/C17H14N4O2S/c1-18-15-13-12-7-8-21(10-3-5-11(23-2)6-4-10)17(22)14(12)24-16(13)20-9-19-15/h3-9H,1-2H3,(H,18,19,20)
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77n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364695
PNG
(CHEMBL1951686)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3nccc(NC[C@@H](C)O)c23)c1=O
Show InChI InChI=1S/C20H19N3O3S/c1-12(24)11-22-16-7-9-21-19-17(16)15-8-10-23(20(25)18(15)27-19)13-3-5-14(26-2)6-4-13/h3-10,12,24H,11H2,1-2H3,(H,21,22)/t12-/m1/s1
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86n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364716
PNG
(CHEMBL1951888)
Show SMILES CNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C17H14N4OS/c1-10-3-5-11(6-4-10)21-8-7-12-13-15(18-2)19-9-20-16(13)23-14(12)17(21)22/h3-9H,1-2H3,(H,18,19,20)
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97n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364694
PNG
(CHEMBL1951685)
Show SMILES COCCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
Show InChI InChI=1S/C20H19N3O3S/c1-25-12-10-21-16-7-9-22-19-17(16)15-8-11-23(20(24)18(15)27-19)13-3-5-14(26-2)6-4-13/h3-9,11H,10,12H2,1-2H3,(H,21,22)
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108n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364737
PNG
(CHEMBL1951676)
Show SMILES COc1ccnc2sc3c(ccn(-c4ccc(cc4)C4CC4)c3=O)c12
Show InChI InChI=1S/C20H16N2O2S/c1-24-16-8-10-21-19-17(16)15-9-11-22(20(23)18(15)25-19)14-6-4-13(5-7-14)12-2-3-12/h4-12H,2-3H2,1H3
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119n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364693
PNG
(CHEMBL1951684)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3nccc(NCCO)c23)c1=O
Show InChI InChI=1S/C19H17N3O3S/c1-25-13-4-2-12(3-5-13)22-10-7-14-16-15(20-9-11-23)6-8-21-18(16)26-17(14)19(22)24/h2-8,10,23H,9,11H2,1H3,(H,20,21)
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136n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364734
PNG
(CHEMBL1951673)
Show SMILES COc1ccnc2sc3c(ccn(-c4ccccc4C)c3=O)c12
Show InChI InChI=1S/C18H14N2O2S/c1-11-5-3-4-6-13(11)20-10-8-12-15-14(22-2)7-9-19-17(15)23-16(12)18(20)21/h3-10H,1-2H3
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204n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364698
PNG
(CHEMBL1951689)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(F)cc4)c3=O)c12
Show InChI InChI=1S/C17H12FN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)
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270n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364701
PNG
(CHEMBL1951873)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(cc4)C#N)c3=O)c12
Show InChI InChI=1S/C18H12N4OS/c1-20-14-6-8-21-17-15(14)13-7-9-22(18(23)16(13)24-17)12-4-2-11(10-19)3-5-12/h2-9H,1H3,(H,20,21)
PDB

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309n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364732
PNG
(CHEMBL1951671)
Show SMILES COc1cccc(c1)-n1ccc2c3c(OC)ccnc3sc2c1=O
Show InChI InChI=1S/C18H14N2O3S/c1-22-12-5-3-4-11(10-12)20-9-7-13-15-14(23-2)6-8-19-17(15)24-16(13)18(20)21/h3-10H,1-2H3
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566n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364739
PNG
(CHEMBL1951678)
Show SMILES CCn1ccc2c(sc3nccc(OC)c23)c1=O
Show InChI InChI=1S/C13H12N2O2S/c1-3-15-7-5-8-10-9(17-2)4-6-14-12(10)18-11(8)13(15)16/h4-7H,3H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
778n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
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