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PubMed code 24125886

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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 5


(Homo sapiens (Human))
BDBM50443088
PNG
(CHEMBL3087216)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C17H18ClNO3/c1-22-16(20)19-14-5-6-15(19)11-17(21,10-14)8-7-12-3-2-4-13(18)9-12/h2-4,9,14-15,21H,5-6,10-11H2,1H3/t14-,15+,17+
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n/an/a 27n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443089
PNG
(CHEMBL3086715)
Show SMILES COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)9-10-19(22)11-12-20(18(21)23-2)17-8-4-7-16(17)19/h3,5-6,13,16-17,22H,4,7-8,11-12H2,1-2H3/t16-,17+,19?/m1/s1
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443090
PNG
(CHEMBL3086712)
Show SMILES COC(=O)N1CCC2CC(O)(C#Cc3cccc(C)c3)C2C1
Show InChI InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)6-8-18(21)11-15-7-9-19(12-16(15)18)17(20)22-2/h3-5,10,15-16,21H,7,9,11-12H2,1-2H3
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443091
PNG
(CHEMBL3087511)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1
Show InChI InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)8-9-18(21)11-15-6-7-16(12-18)19(15)17(20)22-2/h3-5,10,15-16,21H,6-7,11-12H2,1-2H3/t15-,16+,18+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443092
PNG
(CHEMBL3085792)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1
Show InChI InChI=1S/C19H23NO3/c1-3-23-18(21)20-16-7-8-17(20)13-19(22,12-16)10-9-15-6-4-5-14(2)11-15/h4-6,11,16-17,22H,3,7-8,12-13H2,1-2H3/t16-,17+,19+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443089
PNG
(CHEMBL3086715)
Show SMILES COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)9-10-19(22)11-12-20(18(21)23-2)17-8-4-7-16(17)19/h3,5-6,13,16-17,22H,4,7-8,11-12H2,1-2H3/t16-,17+,19?/m1/s1
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443093
PNG
(CHEMBL3087217)
Show SMILES COC(=O)N1[C@@H]2CC[C@@H]1CC(O)(C2)C#Cc1cccc(C)c1
Show InChI InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)8-9-18(21)11-15-6-7-16(12-18)19(15)17(20)22-2/h3-5,10,15-16,21H,6-7,11-12H2,1-2H3/t15-,16-/m1/s1
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443087
PNG
(CHEMBL3087214)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(F)c1
Show InChI InChI=1S/C17H18FNO3/c1-22-16(20)19-14-5-6-15(19)11-17(21,10-14)8-7-12-3-2-4-13(18)9-12/h2-4,9,14-15,21H,5-6,10-11H2,1H3/t14-,15+,17+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443086
PNG
(CHEMBL3087508)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)C#Cc1cccc(C)c1
Show InChI InChI=1S/C18H21NO2/c1-13-4-3-5-14(10-13)6-7-15-11-16-8-9-17(12-15)19(16)18(20)21-2/h3-5,10,15-17H,8-9,11-12H2,1-2H3/t15-,16-,17+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443085
PNG
(AFQ056 | MAVOGLURANT | Mavoglurant)
Show SMILES COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1
Show InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443084
PNG
(CHEMBL3087220)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(OC(F)F)c1
Show InChI InChI=1S/C18H19F2NO4/c1-24-17(22)21-13-5-6-14(21)11-18(23,10-13)8-7-12-3-2-4-15(9-12)25-16(19)20/h2-4,9,13-14,16,23H,5-6,10-11H2,1H3/t13-,14+,18+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443080
PNG
(CHEMBL3087514)
Show SMILES COC(=O)N1C[C@@H]2CCC(O)(C#Cc3cccc(C)c3)[C@@H]2C1
Show InChI InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)6-8-18(21)9-7-15-11-19(12-16(15)18)17(20)22-2/h3-5,10,15-16,21H,7,9,11-12H2,1-2H3/t15-,16+,18?/m0/s1
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443083
PNG
(CHEMBL3087219)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(OC)c1
Show InChI InChI=1S/C18H21NO4/c1-22-16-5-3-4-13(10-16)8-9-18(21)11-14-6-7-15(12-18)19(14)17(20)23-2/h3-5,10,14-15,21H,6-7,11-12H2,1-2H3/t14-,15+,18+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443082
PNG
(CHEMBL3087513)
Show SMILES COC(=O)N1C[C@@H]2CC[C@H]1C[C@@]2(O)C#Cc1cccc(C)c1
Show InChI InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)8-9-18(21)11-16-7-6-15(18)12-19(16)17(20)22-2/h3-5,10,15-16,21H,6-7,11-12H2,1-2H3/t15-,16-,18-/m0/s1
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443081
PNG
(CHEMBL3087212)
Show SMILES COC(=O)N1CCCCC11CCCC(O)(C1)C#Cc1cccc(C)c1
Show InChI InChI=1S/C21H27NO3/c1-17-7-5-8-18(15-17)9-13-21(24)12-6-11-20(16-21)10-3-4-14-22(20)19(23)25-2/h5,7-8,15,24H,3-4,6,10-12,14,16H2,1-2H3
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443080
PNG
(CHEMBL3087514)
Show SMILES COC(=O)N1C[C@@H]2CCC(O)(C#Cc3cccc(C)c3)[C@@H]2C1
Show InChI InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)6-8-18(21)9-7-15-11-19(12-16(15)18)17(20)22-2/h3-5,10,15-16,21H,7,9,11-12H2,1-2H3/t15-,16+,18?/m0/s1
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443079
PNG
(CHEMBL3087225)
Show SMILES CN(C)C(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1
Show InChI InChI=1S/C19H24N2O2/c1-14-5-4-6-15(11-14)9-10-19(23)12-16-7-8-17(13-19)21(16)18(22)20(2)3/h4-6,11,16-17,23H,7-8,12-13H2,1-3H3/t16-,17+,19+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443078
PNG
(CHEMBL3087509)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@@](C2)(OC)C#Cc1cccc(C)c1
Show InChI InChI=1S/C19H23NO3/c1-14-5-4-6-15(11-14)9-10-19(23-3)12-16-7-8-17(13-19)20(16)18(21)22-2/h4-6,11,16-17H,7-8,12-13H2,1-3H3/t16-,17+,19+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443077
PNG
(CHEMBL3087505)
Show SMILES CN(C)C(=N/C#N)\N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1
Show InChI InChI=1S/C20H24N4O/c1-15-5-4-6-16(11-15)9-10-20(25)12-17-7-8-18(13-20)24(17)19(22-14-21)23(2)3/h4-6,11,17-18,25H,7-8,12-13H2,1-3H3/b22-19+/t17-,18+,20+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443076
PNG
(CHEMBL3087507)
Show SMILES Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2c1ncccc1C#N
Show InChI InChI=1S/C22H21N3O/c1-16-4-2-5-17(12-16)9-10-22(26)13-19-7-8-20(14-22)25(19)21-18(15-23)6-3-11-24-21/h2-6,11-12,19-20,26H,7-8,13-14H2,1H3/t19-,20+,22+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443075
PNG
(CHEMBL3086717)
Show SMILES COC(=O)N1CC(F)(F)C(O)(C#Cc2cccc(C)c2)[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C19H21F2NO3/c1-13-5-3-6-14(11-13)9-10-18(24)15-7-4-8-16(15)22(17(23)25-2)12-19(18,20)21/h3,5-6,11,15-16,24H,4,7-8,12H2,1-2H3/t15-,16+,18?/m1/s1
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443074
PNG
(CHEMBL3087218)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C18H18N2O3/c1-23-17(21)20-15-5-6-16(20)11-18(22,10-15)8-7-13-3-2-4-14(9-13)12-19/h2-4,9,15-16,22H,5-6,10-11H2,1H3/t15-,16+,18+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443073
PNG
(CHEMBL3086716)
Show SMILES COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)9-10-19(22)11-12-20(18(21)23-2)17-8-4-7-16(17)19/h3,5-6,13,16-17,22H,4,7-8,11-12H2,1-2H3/t16-,17+,19?/m0/s1
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n/an/a 189n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443072
PNG
(CHEMBL3087226)
Show SMILES Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)N1CCC1
Show InChI InChI=1S/C20H24N2O2/c1-15-4-2-5-16(12-15)8-9-20(24)13-17-6-7-18(14-20)22(17)19(23)21-10-3-11-21/h2,4-5,12,17-18,24H,3,6-7,10-11,13-14H2,1H3/t17-,18+,20+
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n/an/a 210n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443071
PNG
(CHEMBL3086718)
Show SMILES COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)C2CCCCC12
Show InChI InChI=1S/C20H25NO3/c1-15-6-5-7-16(14-15)10-11-20(23)12-13-21(19(22)24-2)18-9-4-3-8-17(18)20/h5-7,14,17-18,23H,3-4,8-9,12-13H2,1-2H3
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443070
PNG
(CHEMBL3087213)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1ccccc1
Show InChI InChI=1S/C17H19NO3/c1-21-16(19)18-14-7-8-15(18)12-17(20,11-14)10-9-13-5-3-2-4-6-13/h2-6,14-15,20H,7-8,11-12H2,1H3/t14-,15+,17+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443069
PNG
(CHEMBL3086719)
Show SMILES COC(=O)N1CCC2(CC(O)(C2)C#Cc2cccc(C)c2)CC1
Show InChI InChI=1S/C19H23NO3/c1-15-4-3-5-16(12-15)6-7-19(22)13-18(14-19)8-10-20(11-9-18)17(21)23-2/h3-5,12,22H,8-11,13-14H2,1-2H3
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n/an/a 306n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443068
PNG
(CHEMBL3087224)
Show SMILES Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C
Show InChI InChI=1S/C21H27NO2/c1-15-6-5-7-16(12-15)10-11-21(24)13-17-8-9-18(14-21)22(17)19(23)20(2,3)4/h5-7,12,17-18,24H,8-9,13-14H2,1-4H3/t17-,18+,21+
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n/an/a 308n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443067
PNG
(CHEMBL3087211)
Show SMILES COC(=O)N1CCC(O)(CC11CCC1)C#Cc1cccc(C)c1
Show InChI InChI=1S/C19H23NO3/c1-15-5-3-6-16(13-15)7-10-19(22)11-12-20(17(21)23-2)18(14-19)8-4-9-18/h3,5-6,13,22H,4,8-9,11-12,14H2,1-2H3
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443066
PNG
(CHEMBL3087223)
Show SMILES CC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1
Show InChI InChI=1S/C18H21NO2/c1-13-4-3-5-15(10-13)8-9-18(21)11-16-6-7-17(12-18)19(16)14(2)20/h3-5,10,16-17,21H,6-7,11-12H2,1-2H3/t16-,17+,18+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443065
PNG
(CHEMBL3087506)
Show SMILES Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O
Show InChI InChI=1S/C17H21NO3S/c1-13-4-3-5-14(10-13)8-9-17(19)11-15-6-7-16(12-17)18(15)22(2,20)21/h3-5,10,15-16,19H,6-7,11-12H2,1-2H3/t15-,16+,17+
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Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443064
PNG
(CHEMBL3086720)
Show SMILES COC(=O)N1CCC2(CC(O)(CO2)C#Cc2cccc(C)c2)CC1
Show InChI InChI=1S/C19H23NO4/c1-15-4-3-5-16(12-15)6-7-18(22)13-19(24-14-18)8-10-20(11-9-19)17(21)23-2/h3-5,12,22H,8-11,13-14H2,1-2H3
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n/an/a 813n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443063
PNG
(CHEMBL3087221)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)n1
Show InChI InChI=1S/C17H20N2O3/c1-12-4-3-5-13(18-12)8-9-17(21)10-14-6-7-15(11-17)19(14)16(20)22-2/h3-5,14-15,21H,6-7,10-11H2,1-2H3/t14-,15+,17+
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n/an/a 818n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443062
PNG
(CHEMBL3086713)
Show SMILES COC(=O)N1CC2CCC(O)(CC2C1)C#Cc1cccc(C)c1
Show InChI InChI=1S/C19H23NO3/c1-14-4-3-5-15(10-14)6-8-19(22)9-7-16-12-20(18(21)23-2)13-17(16)11-19/h3-5,10,16-17,22H,7,9,11-13H2,1-2H3
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n/an/a 930n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443057
PNG
(CHEMBL3086714)
Show SMILES COC(=O)N1C[C@@H]2CCCC(O)(C#Cc3cccc(C)c3)[C@@H]2C1
Show InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(11-14)8-10-19(22)9-4-7-16-12-20(13-17(16)19)18(21)23-2/h3,5-6,11,16-17,22H,4,7,9,12-13H2,1-2H3/t16-,17+,19?/m0/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443061
PNG
(CHEMBL3087510)
Show SMILES COC(=O)N1[C@H]2CCC[C@H]1CC(O)(C2)C#Cc1cccc(C)c1
Show InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(11-14)9-10-19(22)12-16-7-4-8-17(13-19)20(16)18(21)23-2/h3,5-6,11,16-17,22H,4,7-8,12-13H2,1-2H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443060
PNG
(CHEMBL3087215)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C17H18FNO3/c1-22-16(20)19-14-6-7-15(19)11-17(21,10-14)9-8-12-2-4-13(18)5-3-12/h2-5,14-15,21H,6-7,10-11H2,1H3/t14-,15+,17+
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n/an/a 2.19E+3n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443059
PNG
(CHEMBL3087512)
Show SMILES COC(=O)N1C[C@@H]2COC[C@H](C1)[C@@]2(O)C#Cc1cccc(C)c1
Show InChI InChI=1S/C18H21NO4/c1-13-4-3-5-14(8-13)6-7-18(21)15-9-19(17(20)22-2)10-16(18)12-23-11-15/h3-5,8,15-16,21H,9-12H2,1-2H3/t15-,16+,18-
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n/an/a 3.35E+3n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443058
PNG
(CHEMBL3086711)
Show SMILES COC(=O)N1C[C@H]2CC(O)(C[C@H]2C1)C#Cc1cccc(C)c1
Show InChI InChI=1S/C18H21NO3/c1-13-4-3-5-14(8-13)6-7-18(21)9-15-11-19(17(20)22-2)12-16(15)10-18/h3-5,8,15-16,21H,9-12H2,1-2H3/t15-,16+,18?
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n/an/a 8.60E+3n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50443056
PNG
(CHEMBL3087222)
Show SMILES COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cn2ccccc2n1
Show InChI InChI=1S/C18H19N3O3/c1-24-17(22)21-14-5-6-15(21)11-18(23,10-14)8-7-13-12-20-9-3-2-4-16(20)19-13/h2-4,9,12,14-15,23H,5-6,10-11H2,1H3/t14-,15+,18+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium m...


Bioorg Med Chem Lett 23: 6370-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.059
BindingDB Entry DOI: 10.7270/Q2W37XRD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%