Compile Data Set for Download or QSAR
Found 74 Enz. Inhib. hit(s) with all data for entry = 50042688
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50084137(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
Affinity DataKi:  3.40nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429412(CHEMBL2338582)
Show SMILES Clc1cccc(c1)C1=NC[C@]2(CCC[C@@H](C2)NC(=O)c2ccccn2)O1
Show InChI InChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)/t16-,20+/m0/s1
Affinity DataKi:  30nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429412(CHEMBL2338582)
Show SMILES Clc1cccc(c1)C1=NC[C@]2(CCC[C@@H](C2)NC(=O)c2ccccn2)O1
Show InChI InChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)/t16-,20+/m0/s1
Affinity DataKi:  178nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429415(CHEMBL2338590)
Show SMILES Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1
Show InChI InChI=1S/C19H20ClN3O2/c20-14-6-3-5-13(11-14)18(24)22-15-7-4-8-16(12-15)23-19(25)17-9-1-2-10-21-17/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,22,24)(H,23,25)/t15-,16-/m1/s1
Affinity DataKi:  205nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429414(CHEMBL2338567)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m1/s1
Affinity DataKi:  211nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429414(CHEMBL2338567)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m1/s1
Affinity DataKi:  320nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429424(CHEMBL2338599)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccncc1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-4-1-3-14(11-15)19(25)23-17-6-2-5-16(12-17)22-18(24)13-7-9-21-10-8-13/h1,3-4,7-11,16-17H,2,5-6,12H2,(H,22,24)(H,23,25)/t16-,17-/m0/s1
Affinity DataKi:  445nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429419(CHEMBL2338569)
Show SMILES Fc1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-4-1-3-14(11-15)20(26)24-18-6-2-5-17(12-18)23-19(25)13-7-9-16(22)10-8-13/h1,3-4,7-11,17-18H,2,5-6,12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
Affinity DataKi:  492nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429423(CHEMBL2338600)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2/c1-13-5-2-10-18(22-13)20(26)24-17-9-4-8-16(12-17)23-19(25)14-6-3-7-15(21)11-14/h2-3,5-7,10-11,16-17H,4,8-9,12H2,1H3,(H,23,25)(H,24,26)/t16-,17-/m0/s1
Affinity DataKi:  582nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429421(CHEMBL2338564)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H21ClN2O2/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14/h1-4,6-9,12,17-18H,5,10-11,13H2,(H,22,24)(H,23,25)/t17-,18-/m0/s1
Affinity DataKi:  672nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429418(CHEMBL2338571)
Show SMILES COc1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN2O3/c1-27-19-10-8-14(9-11-19)20(25)23-17-6-3-7-18(13-17)24-21(26)15-4-2-5-16(22)12-15/h2,4-5,8-12,17-18H,3,6-7,13H2,1H3,(H,23,25)(H,24,26)/t17-,18-/m0/s1
Affinity DataKi:  674nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429420(CHEMBL2338565)
Show SMILES Fc1ccccc1C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClFN2O2/c21-14-6-3-5-13(11-14)19(25)23-15-7-4-8-16(12-15)24-20(26)17-9-1-2-10-18(17)22/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,23,25)(H,24,26)/t15-,16-/m0/s1
Affinity DataKi:  760nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429422(CHEMBL2338563)
Show SMILES Clc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1ncccc1C#N
Show InChI InChI=1S/C20H19ClN4O2/c21-15-6-1-4-13(10-15)19(26)24-16-7-2-8-17(11-16)25-20(27)18-14(12-22)5-3-9-23-18/h1,3-6,9-10,16-17H,2,7-8,11H2,(H,24,26)(H,25,27)
Affinity DataKi:  1.25E+3nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429416(CHEMBL2338587)
Show SMILES O=C(N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N
Show InChI InChI=1S/C20H20N4O2/c21-13-14-5-3-6-15(11-14)19(25)23-16-7-4-8-17(12-16)24-20(26)18-9-1-2-10-22-18/h1-3,5-6,9-11,16-17H,4,7-8,12H2,(H,23,25)(H,24,26)/t16-,17-/m1/s1
Affinity DataKi:  1.28E+3nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429416(CHEMBL2338587)
Show SMILES O=C(N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N
Show InChI InChI=1S/C20H20N4O2/c21-13-14-5-3-6-15(11-14)19(25)23-16-7-4-8-17(12-16)24-20(26)18-9-1-2-10-22-18/h1-3,5-6,9-11,16-17H,4,7-8,12H2,(H,23,25)(H,24,26)/t16-,17-/m1/s1
Affinity DataKi:  1.54E+3nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429417(CHEMBL2338575)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ncccn1
Show InChI InChI=1S/C18H19ClN4O2/c19-13-5-1-4-12(10-13)17(24)22-14-6-2-7-15(11-14)23-18(25)16-20-8-3-9-21-16/h1,3-5,8-10,14-15H,2,6-7,11H2,(H,22,24)(H,23,25)/t14-,15-/m0/s1
Affinity DataKi:  3.79E+3nMAssay Description:Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50084137(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
Affinity DataIC50: 2.30nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429413(CHEMBL2338579)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1CCC[C@]2(CN=C(O2)c2cccc(Cl)c2)C1
Show InChI InChI=1S/C21H22ClN3O2/c1-14-5-2-9-18(24-14)19(26)25-17-8-4-10-21(12-17)13-23-20(27-21)15-6-3-7-16(22)11-15/h2-3,5-7,9,11,17H,4,8,10,12-13H2,1H3,(H,25,26)/t17-,21+/m0/s1
Affinity DataIC50: 23nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429414(CHEMBL2338567)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m1/s1
Affinity DataIC50: 59nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429415(CHEMBL2338590)
Show SMILES Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1
Show InChI InChI=1S/C19H20ClN3O2/c20-14-6-3-5-13(11-14)18(24)22-15-7-4-8-16(12-15)23-19(25)17-9-1-2-10-21-17/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,22,24)(H,23,25)/t15-,16-/m1/s1
Affinity DataIC50: 62nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429428(CHEMBL2338578)
Show SMILES Cc1cccc(n1)C(=O)N[C@@H]1CCC[C@@]2(CN=C(O2)c2cccc(Cl)c2)C1
Show InChI InChI=1S/C21H22ClN3O2/c1-14-5-2-9-18(24-14)19(26)25-17-8-4-10-21(12-17)13-23-20(27-21)15-6-3-7-16(22)11-15/h2-3,5-7,9,11,17H,4,8,10,12-13H2,1H3,(H,25,26)/t17-,21+/m1/s1
Affinity DataIC50: 72nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429414(CHEMBL2338567)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m1/s1
Affinity DataIC50: 86nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429412(CHEMBL2338582)
Show SMILES Clc1cccc(c1)C1=NC[C@]2(CCC[C@@H](C2)NC(=O)c2ccccn2)O1
Show InChI InChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)/t16-,20+/m0/s1
Affinity DataIC50: 115nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429441(CHEMBL2338595)
Show SMILES Clc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)
Affinity DataIC50: 139nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429420(CHEMBL2338565)
Show SMILES Fc1ccccc1C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClFN2O2/c21-14-6-3-5-13(11-14)19(25)23-15-7-4-8-16(12-15)24-20(26)17-9-1-2-10-18(17)22/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,23,25)(H,24,26)/t15-,16-/m0/s1
Affinity DataIC50: 175nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429419(CHEMBL2338569)
Show SMILES Fc1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-4-1-3-14(11-15)20(26)24-18-6-2-5-17(12-18)23-19(25)13-7-9-16(22)10-8-13/h1,3-4,7-11,17-18H,2,5-6,12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
Affinity DataIC50: 194nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429421(CHEMBL2338564)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H21ClN2O2/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14/h1-4,6-9,12,17-18H,5,10-11,13H2,(H,22,24)(H,23,25)/t17-,18-/m0/s1
Affinity DataIC50: 228nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429416(CHEMBL2338587)
Show SMILES O=C(N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N
Show InChI InChI=1S/C20H20N4O2/c21-13-14-5-3-6-15(11-14)19(25)23-16-7-4-8-17(12-16)24-20(26)18-9-1-2-10-22-18/h1-3,5-6,9-11,16-17H,4,7-8,12H2,(H,23,25)(H,24,26)/t16-,17-/m1/s1
Affinity DataIC50: 231nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429418(CHEMBL2338571)
Show SMILES COc1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN2O3/c1-27-19-10-8-14(9-11-19)20(25)23-17-6-3-7-18(13-17)24-21(26)15-4-2-5-16(22)12-15/h2,4-5,8-12,17-18H,3,6-7,13H2,1H3,(H,23,25)(H,24,26)/t17-,18-/m0/s1
Affinity DataIC50: 266nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429423(CHEMBL2338600)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2/c1-13-5-2-10-18(22-13)20(26)24-17-9-4-8-16(12-17)23-19(25)14-6-3-7-15(21)11-14/h2-3,5-7,10-11,16-17H,4,8-9,12H2,1H3,(H,23,25)(H,24,26)/t16-,17-/m0/s1
Affinity DataIC50: 290nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429424(CHEMBL2338599)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccncc1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-4-1-3-14(11-15)19(25)23-17-6-2-5-16(12-17)22-18(24)13-7-9-21-10-8-13/h1,3-4,7-11,16-17H,2,5-6,12H2,(H,22,24)(H,23,25)/t16-,17-/m0/s1
Affinity DataIC50: 300nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429415(CHEMBL2338590)
Show SMILES Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1
Show InChI InChI=1S/C19H20ClN3O2/c20-14-6-3-5-13(11-14)18(24)22-15-7-4-8-16(12-15)23-19(25)17-9-1-2-10-21-17/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,22,24)(H,23,25)/t15-,16-/m1/s1
Affinity DataIC50: 314nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429417(CHEMBL2338575)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ncccn1
Show InChI InChI=1S/C18H19ClN4O2/c19-13-5-1-4-12(10-13)17(24)22-14-6-2-7-15(11-14)23-18(25)16-20-8-3-9-21-16/h1,3-5,8-10,14-15H,2,6-7,11H2,(H,22,24)(H,23,25)/t14-,15-/m0/s1
Affinity DataIC50: 425nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429408(CHEMBL2338560)
Show SMILES Clc1cccc(NC(=O)[C@H]2CCC[C@@H](C2)NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C19H20ClN3O2/c20-14-6-4-8-16(12-14)22-18(24)13-5-3-7-15(11-13)23-19(25)17-9-1-2-10-21-17/h1-2,4,6,8-10,12-13,15H,3,5,7,11H2,(H,22,24)(H,23,25)/t13-,15-/m0/s1
Affinity DataIC50: 468nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429433(CHEMBL2338572)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClN3O2/c1-26(2)20-11-9-15(10-12-20)21(27)24-18-7-4-8-19(14-18)25-22(28)16-5-3-6-17(23)13-16/h3,5-6,9-13,18-19H,4,7-8,14H2,1-2H3,(H,24,27)(H,25,28)/t18-,19-/m0/s1
Affinity DataIC50: 473nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429416(CHEMBL2338587)
Show SMILES O=C(N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N
Show InChI InChI=1S/C20H20N4O2/c21-13-14-5-3-6-15(11-14)19(25)23-16-7-4-8-17(12-16)24-20(26)18-9-1-2-10-22-18/h1-3,5-6,9-11,16-17H,4,7-8,12H2,(H,23,25)(H,24,26)/t16-,17-/m1/s1
Affinity DataIC50: 531nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429440(CHEMBL2338596)
Show SMILES Fc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H20F2N2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
Affinity DataIC50: 593nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429438(CHEMBL2338598)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccnc1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-6-1-4-13(10-15)18(24)22-16-7-2-8-17(11-16)23-19(25)14-5-3-9-21-12-14/h1,3-6,9-10,12,16-17H,2,7-8,11H2,(H,22,24)(H,23,25)/t16-,17-/m0/s1
Affinity DataIC50: 612nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429412(CHEMBL2338582)
Show SMILES Clc1cccc(c1)C1=NC[C@]2(CCC[C@@H](C2)NC(=O)c2ccccn2)O1
Show InChI InChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)/t16-,20+/m0/s1
Affinity DataIC50: 647nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429422(CHEMBL2338563)
Show SMILES Clc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1ncccc1C#N
Show InChI InChI=1S/C20H19ClN4O2/c21-15-6-1-4-13(10-15)19(26)24-16-7-2-8-17(11-16)25-20(27)18-14(12-22)5-3-9-23-18/h1,3-6,9-10,16-17H,2,7-8,11H2,(H,24,26)(H,25,27)
Affinity DataIC50: 671nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429434(CHEMBL2338570)
Show SMILES COc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN2O3/c1-27-19-10-3-6-15(12-19)21(26)24-18-9-4-8-17(13-18)23-20(25)14-5-2-7-16(22)11-14/h2-3,5-7,10-12,17-18H,4,8-9,13H2,1H3,(H,23,25)(H,24,26)/t17-,18-/m0/s1
Affinity DataIC50: 789nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429430(CHEMBL2338576)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C20H27ClN2O2/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14/h4,8-9,12,14,17-18H,1-3,5-7,10-11,13H2,(H,22,24)(H,23,25)/t17-,18-/m0/s1
Affinity DataIC50: 857nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429442(CHEMBL2338594)
Show SMILES Cc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1
Show InChI InChI=1S/C20H23N3O2/c1-14-6-4-7-15(12-14)19(24)22-16-8-5-9-17(13-16)23-20(25)18-10-2-3-11-21-18/h2-4,6-7,10-12,16-17H,5,8-9,13H2,1H3,(H,22,24)(H,23,25)/t16-,17-/m0/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429439(CHEMBL2338597)
Show SMILES O=C(N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1)c1ccccn1
Show InChI InChI=1S/C18H20N4O2/c23-17(15-8-1-3-10-19-15)21-13-6-5-7-14(12-13)22-18(24)16-9-2-4-11-20-16/h1-4,8-11,13-14H,5-7,12H2,(H,21,23)(H,22,24)/t13-,14-/m0/s1
Affinity DataIC50: 1.15E+3nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429431(CHEMBL2338574)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cnccn1
Show InChI InChI=1S/C18H19ClN4O2/c19-13-4-1-3-12(9-13)17(24)22-14-5-2-6-15(10-14)23-18(25)16-11-20-7-8-21-16/h1,3-4,7-9,11,14-15H,2,5-6,10H2,(H,22,24)(H,23,25)/t14-,15-/m0/s1
Affinity DataIC50: 1.37E+3nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429429(CHEMBL2338577)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1CCC[C@@]2(CN=C(O2)c2cccc(Cl)c2)C1
Show InChI InChI=1S/C21H22ClN3O2/c1-14-5-2-9-18(24-14)19(26)25-17-8-4-10-21(12-17)13-23-20(27-21)15-6-3-7-16(22)11-15/h2-3,5-7,9,11,17H,4,8,10,12-13H2,1H3,(H,25,26)/t17-,21-/m0/s1
Affinity DataIC50: 1.51E+3nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429444(CHEMBL2338592)
Show SMILES Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@@H](C1)NC(=O)c1ccccn1
Show InChI InChI=1S/C19H20ClN3O2/c20-14-6-3-5-13(11-14)18(24)22-15-7-4-8-16(12-15)23-19(25)17-9-1-2-10-21-17/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,22,24)(H,23,25)/t15-,16+/m1/s1
Affinity DataIC50: 1.51E+3nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429414(CHEMBL2338567)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m1/s1
Affinity DataIC50: 2.10E+3nMAssay Description:Antagonist activity at rat mGluR1 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429427(CHEMBL2338581)
Show SMILES Clc1cccc(c1)C1=NC[C@@]2(CCC[C@H](C2)NC(=O)c2ccccn2)O1
Show InChI InChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)/t16-,20+/m1/s1
Affinity DataIC50: 2.91E+3nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Lundbeck Research USA, Inc.

Curated by ChEMBL
LigandPNGBDBM50429437(CHEMBL2338601)
Show SMILES Cc1ccnc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2/c1-13-8-9-22-18(10-13)20(26)24-17-7-3-6-16(12-17)23-19(25)14-4-2-5-15(21)11-14/h2,4-5,8-11,16-17H,3,6-7,12H2,1H3,(H,23,25)(H,24,26)/t16-,17-/m0/s1
Affinity DataIC50: 3.40E+3nMAssay Description:Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assayMore data for this Ligand-Target Pair
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