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SMILES: O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1

InChI Key: InChIKey=XMBSSAPUXAATEP-UHFFFAOYSA-N

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 4 hits for monomerid = 136109   
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))
BDBM136109
PNG
(US8853203, 123c | US9650377, Example 123c)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1 |c:3,5|
Show InChI InChI=1S/C21H21N5O/c27-20-11-22-19(26-12-23-21(24-26)14-6-7-14)10-18-17-3-1-2-15(13-4-5-13)16(17)8-9-25(18)20/h1-3,10,12-14H,4-9,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/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 1


(Homo sapiens (Human))
BDBM136109
PNG
(US8853203, 123c | US9650377, Example 123c)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1 |c:3,5|
Show InChI InChI=1S/C21H21N5O/c27-20-11-22-19(26-12-23-21(24-26)14-6-7-14)10-18-17-3-1-2-15(13-4-5-13)16(17)8-9-25(18)20/h1-3,10,12-14H,4-9,11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 226n/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))
BDBM136109
PNG
(US8853203, 123c | US9650377, Example 123c)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1 |c:3,5|
Show InChI InChI=1S/C21H21N5O/c27-20-11-22-19(26-12-23-21(24-26)14-6-7-14)10-18-17-3-1-2-15(13-4-5-13)16(17)8-9-25(18)20/h1-3,10,12-14H,4-9,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/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))
BDBM136109
PNG
(US8853203, 123c | US9650377, Example 123c)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1 |c:3,5|
Show InChI InChI=1S/C21H21N5O/c27-20-11-22-19(26-12-23-21(24-26)14-6-7-14)10-18-17-3-1-2-15(13-4-5-13)16(17)8-9-25(18)20/h1-3,10,12-14H,4-9,11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 226n/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