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BDBM136033 US8853203, 88::US9650377, Example 88j

SMILES: Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1

InChI Key: InChIKey=RCNPMPFRYJOVFT-UHFFFAOYSA-N

Data: 14 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 136033   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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n/an/a 131n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US8853203 (2014)


BindingDB Entry DOI: 10.7270/Q2MP520T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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US Patent
n/an/a 131n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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KEGG

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US Patent
n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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antibodypedia
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US Patent
n/an/a 761n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
PDB

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antibodypedia
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US Patent
n/an/a 5.86E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
PDB

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antibodypedia
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US Patent
n/an/a 1.05E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
PDB
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KEGG

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antibodypedia
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PC sid
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US Patent
n/an/a 340n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
PDB
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KEGG

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US Patent
n/an/a 56n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
PDB

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US Patent
n/an/a 1.86E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
PDB
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US Patent
n/an/a 69n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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US Patent
n/an/a 46n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair