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Patent code US9212165

Compile Data Set for Download or QSAR
Found 28 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))		BDBM196506
PNG
(US9212165, 3)
Show SMILES Fc1cccc(c1)C#CC12CCC(C1)(CCC2)NC(=O)c1cnccn1
Show InChI InChI=1S/C21H20FN3O/c22-17-4-1-3-16(13-17)5-8-20-6-2-7-21(15-20,10-9-20)25-19(26)18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)
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US Patent
 3 -48.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196508
PNG
(US9212165, 16)
Show SMILES O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1 |r|
Show InChI InChI=1S/C21H21N3O/c25-19(18-7-2-4-15-23-18)24-21-10-5-9-20(16-21,12-13-21)11-8-17-6-1-3-14-22-17/h1-4,6-7,14-15H,5,9-10,12-13,16H2,(H,24,25)/t20-,21+/m0/s1
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US Patent
 4.5 -47.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196528
PNG
(US9212165, 71)
Show SMILES O=C(NC12CC3CC(C1)CC(C3)(C2)C#Cc1ccccn1)c1cnccn1 |TLB:2:3:6:9.10.11,13:10:6:3.4.8,THB:4:3:9:6.5.11,4:5:9:3.12.8,12:3:6:9.10.11,12:10:6:3.4.8|
Show InChI InChI=1S/C22H22N4O/c27-20(19-14-23-7-8-25-19)26-22-12-16-9-17(13-22)11-21(10-16,15-22)5-4-18-3-1-2-6-24-18/h1-3,6-8,14,16-17H,9-13,15H2,(H,26,27)
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US Patent
 4.70 -47.5n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196520
PNG
(US9212165, 45)
Show SMILES Cc1csc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1 |r|
Show InChI InChI=1S/C19H20N4OS/c1-14-12-25-17(22-14)16(24)23-19-5-2-4-18(13-19,7-8-19)6-3-15-11-20-9-10-21-15/h9-12H,2,4-5,7-8,13H2,1H3,(H,23,24)/t18-,19+/m0/s1
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US Patent
 6.20 -46.8n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196510
PNG
(US9212165, 18)
Show SMILES Cc1nccc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C21H22N4O/c1-16-22-14-7-18(24-16)19(26)25-21-9-4-8-20(15-21,11-12-21)10-6-17-5-2-3-13-23-17/h2-3,5,7,13-14H,4,8-9,11-12,15H2,1H3,(H,25,26)/t20-,21+/m0/s1
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 10 -45.7n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196511
PNG
(US9212165, 20)
Show SMILES Fc1ccc(nc1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C21H20FN3O/c22-16-5-6-18(24-14-16)19(26)25-21-9-3-8-20(15-21,11-12-21)10-7-17-4-1-2-13-23-17/h1-2,4-6,13-14H,3,8-9,11-12,15H2,(H,25,26)/t20-,21+/m0/s1
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 11 -45.4n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196514
PNG
(US9212165, 28)
Show SMILES Cc1nccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C21H22N4O/c1-16-22-14-7-18(24-16)19(26)25-21-9-4-8-20(15-21,11-12-21)10-6-17-5-2-3-13-23-17/h2-3,5,7,13-14H,4,8-9,11-12,15H2,1H3,(H,25,26)/t20-,21+/m1/s1
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 17 -44.3n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196513
PNG
(US9212165, 26)
Show SMILES O=C(N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1 |r|
Show InChI InChI=1S/C21H21N3O/c25-19(18-7-2-4-15-23-18)24-21-10-5-9-20(16-21,12-13-21)11-8-17-6-1-3-14-22-17/h1-4,6-7,14-15H,5,9-10,12-13,16H2,(H,24,25)/t20-,21+/m1/s1
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 22 -43.7n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196519
PNG
(US9212165, 44)
Show SMILES Cn1ccc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1 |r|
Show InChI InChI=1S/C19H21N5O/c1-24-12-4-16(23-24)17(25)22-19-6-2-5-18(14-19,8-9-19)7-3-15-13-20-10-11-21-15/h4,10-13H,2,5-6,8-9,14H2,1H3,(H,22,25)/t18-,19+/m0/s1
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 34 -42.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196515
PNG
(US9212165, 30)
Show SMILES Fc1ccc(nc1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C21H20FN3O/c22-16-5-6-18(24-14-16)19(26)25-21-9-3-8-20(15-21,11-12-21)10-7-17-4-1-2-13-23-17/h1-2,4-6,13-14H,3,8-9,11-12,15H2,(H,25,26)/t20-,21+/m1/s1
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US Patent
 35 -42.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196523
PNG
(US9212165, 50)
Show SMILES Cc1csc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1 |r|
Show InChI InChI=1S/C19H20N4OS/c1-14-12-25-17(22-14)16(24)23-19-5-2-4-18(13-19,7-8-19)6-3-15-11-20-9-10-21-15/h9-12H,2,4-5,7-8,13H2,1H3,(H,23,24)/t18-,19+/m1/s1
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 38 -42.4n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196507
PNG
(US9212165, 13)
Show SMILES Clc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)C#Cc1cnccn1
Show InChI InChI=1S/C21H20ClN3O/c22-17-4-1-3-16(13-17)19(26)25-21-7-2-6-20(15-21,9-10-21)8-5-18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)
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 91 -40.2n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196530
PNG
(US9212165, 81)
Show SMILES Cc1csc(n1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1ccn(C)n1)C2 |TLB:15:14:26:11.10.9,15:10:26:14.16.13,7:8:11:14.15.13,17:14:11:26.8.9,THB:16:14:11:26.8.9,16:8:11:14.15.13|
Show InChI InChI=1S/C21H24N4OS/c1-14-12-27-18(22-14)3-5-20-8-15-7-16(9-20)11-21(10-15,13-20)23-19(26)17-4-6-25(2)24-17/h4,6,12,15-16H,7-11,13H2,1-2H3,(H,23,26)
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 120 -39.5n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196522
PNG
(US9212165, 49)
Show SMILES Cn1ccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1 |r|
Show InChI InChI=1S/C19H21N5O/c1-24-12-4-16(23-24)17(25)22-19-6-2-5-18(14-19,8-9-19)7-3-15-13-20-10-11-21-15/h4,10-13H,2,5-6,8-9,14H2,1H3,(H,22,25)/t18-,19+/m1/s1
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 590 -35.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196525
PNG
(US9212165, 56)
Show SMILES Cc1cncc(n1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1cccc(F)c1)C2 |TLB:18:15:12:28.9.10,16:15:28:12.11.10,16:11:28:15.17.14,8:9:12:15.16.14,THB:17:15:12:28.9.10,17:9:12:15.16.14|
Show InChI InChI=1S/C24H24FN3O/c1-16-13-26-14-21(27-16)5-6-23-9-17-7-18(10-23)12-24(11-17,15-23)28-22(29)19-3-2-4-20(25)8-19/h2-4,8,13-14,17-18H,7,9-12,15H2,1H3,(H,28,29)
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 1.30E+3 -33.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196506
PNG
(US9212165, 3)
Show SMILES Fc1cccc(c1)C#CC12CCC(C1)(CCC2)NC(=O)c1cnccn1
Show InChI InChI=1S/C21H20FN3O/c22-17-4-1-3-16(13-17)5-8-20-6-2-7-21(15-20,10-9-20)25-19(26)18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)
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n/an/a 1.20n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196508
PNG
(US9212165, 16)
Show SMILES O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1 |r|
Show InChI InChI=1S/C21H21N3O/c25-19(18-7-2-4-15-23-18)24-21-10-5-9-20(16-21,12-13-21)11-8-17-6-1-3-14-22-17/h1-4,6-7,14-15H,5,9-10,12-13,16H2,(H,24,25)/t20-,21+/m0/s1
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n/an/a 1.60n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196526
PNG
(US9212165, 58)
Show SMILES Cc1cncc(n1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C#Cc1cccnc1 |TLB:9:10:13:16.17.18,20:17:13:10.11.15,THB:11:10:16:13.12.18,11:12:16:10.19.15,19:10:13:16.17.18,19:17:13:10.11.15|
Show InChI InChI=1S/C23H24N4O/c1-16-12-25-14-20(26-16)21(28)27-23-10-18-7-19(11-23)9-22(8-18,15-23)5-4-17-3-2-6-24-13-17/h2-3,6,12-14,18-19H,7-11,15H2,1H3,(H,27,28)
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n/an/a 3.80n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196517
PNG
(US9212165, 37)
Show SMILES Cc1cccc(n1)C#C[C@]12CC[C@](C1)(CCC2)NC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C22H23N3O/c1-17-6-4-7-18(24-17)9-12-21-10-5-11-22(16-21,14-13-21)25-20(26)19-8-2-3-15-23-19/h2-4,6-8,15H,5,10-11,13-14,16H2,1H3,(H,25,26)/t21-,22+/m1/s1
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n/an/a 5.30n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196513
PNG
(US9212165, 26)
Show SMILES O=C(N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1 |r|
Show InChI InChI=1S/C21H21N3O/c25-19(18-7-2-4-15-23-18)24-21-10-5-9-20(16-21,12-13-21)11-8-17-6-1-3-14-22-17/h1-4,6-7,14-15H,5,9-10,12-13,16H2,(H,24,25)/t20-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 5.90n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196509
PNG
(US9212165, 17)
Show SMILES O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1cnccn1 |r|
Show InChI InChI=1S/C20H20N4O/c25-18(17-14-21-12-13-23-17)24-20-7-3-6-19(15-20,9-10-20)8-5-16-4-1-2-11-22-16/h1-2,4,11-14H,3,6-7,9-10,15H2,(H,24,25)/t19-,20+/m0/s1
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KEGG

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n/an/a 6.60n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196518
PNG
(US9212165, 41)
Show SMILES Fc1cccnc1C#C[C@]12CC[C@](C1)(CCC2)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C20H19FN4O/c21-15-3-1-10-23-16(15)4-7-19-5-2-6-20(14-19,9-8-19)25-18(26)17-13-22-11-12-24-17/h1,3,10-13H,2,5-6,8-9,14H2,(H,25,26)/t19-,20+/m1/s1
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KEGG

UniProtKB/SwissProt

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n/an/a 9.30n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196512
PNG
(US9212165, 23)
Show SMILES Fc1cccnc1C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C21H20FN3O/c22-17-6-3-14-24-18(17)19(26)25-21-9-4-8-20(15-21,11-12-21)10-7-16-5-1-2-13-23-16/h1-3,5-6,13-14H,4,8-9,11-12,15H2,(H,25,26)/t20-,21+/m0/s1
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KEGG

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n/an/a 11n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196521
PNG
(US9212165, 46)
Show SMILES Cc1nc(cs1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1 |r|
Show InChI InChI=1S/C19H20N4OS/c1-14-22-16(12-25-14)17(24)23-19-5-2-4-18(13-19,7-8-19)6-3-15-11-20-9-10-21-15/h9-12H,2,4-5,7-8,13H2,1H3,(H,23,24)/t18-,19+/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a 12n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196516
PNG
(US9212165, 32)
Show SMILES Cn1ccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C20H22N4O/c1-24-14-7-17(23-24)18(25)22-20-9-4-8-19(15-20,11-12-20)10-6-16-5-2-3-13-21-16/h2-3,5,7,13-14H,4,8-9,11-12,15H2,1H3,(H,22,25)/t19-,20+/m1/s1
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KEGG

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n/an/a 17n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196527
PNG
(US9212165, 62)
Show SMILES Fc1cncc(c1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C#Cc1cnccn1 |TLB:9:10:13:16.17.18,20:17:13:10.11.15,THB:11:10:16:13.12.18,11:12:16:10.19.15,19:10:13:16.17.18,19:17:13:10.11.15|
Show InChI InChI=1S/C22H21FN4O/c23-18-6-17(11-25-12-18)20(28)27-22-9-15-5-16(10-22)8-21(7-15,14-22)2-1-19-13-24-3-4-26-19/h3-4,6,11-13,15-16H,5,7-10,14H2,(H,27,28)
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n/an/a 30n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196524
PNG
(US9212165, 51)
Show SMILES Cc1nc(cs1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1 |r|
Show InChI InChI=1S/C19H20N4OS/c1-14-22-16(12-25-14)17(24)23-19-5-2-4-18(13-19,7-8-19)6-3-15-11-20-9-10-21-15/h9-12H,2,4-5,7-8,13H2,1H3,(H,23,24)/t18-,19+/m1/s1
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KEGG

UniProtKB/SwissProt

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n/an/a 83n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM196529
PNG
(US9212165, 80)
Show SMILES Cc1ccc(cn1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1cnccn1)C2 |TLB:18:15:12:27.9.10,16:15:27:12.11.10,16:11:27:15.17.14,8:9:12:15.16.14,THB:17:15:12:27.9.10,17:9:12:15.16.14|
Show InChI InChI=1S/C23H24N4O/c1-16-2-3-17(13-26-16)4-5-22-9-18-8-19(10-22)12-23(11-18,15-22)27-21(28)20-14-24-6-7-25-20/h2-3,6-7,13-14,18-19H,8-12,15H2,1H3,(H,27,28)
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KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 700n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...

US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%