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BDBM136061 US8853203, 99f::US9650377, Example 99f

SMILES: Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1

InChI Key: InChIKey=LPSCBFOKMBVBFD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 136061   
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))
BDBM136061
PNG
(US8853203, 99f | US9650377, Example 99f)
Show SMILES Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H19FN6O/c24-23-26-9-15(10-27-23)16-2-1-3-18-17(16)6-7-30-20(18)8-21(25-11-22(30)31)29-12-19(28-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 102n/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))
BDBM136061
PNG
(US8853203, 99f | US9650377, Example 99f)
Show SMILES Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H19FN6O/c24-23-26-9-15(10-27-23)16-2-1-3-18-17(16)6-7-30-20(18)8-21(25-11-22(30)31)29-12-19(28-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.20E+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)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136061
PNG
(US8853203, 99f | US9650377, Example 99f)
Show SMILES Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H19FN6O/c24-23-26-9-15(10-27-23)16-2-1-3-18-17(16)6-7-30-20(18)8-21(25-11-22(30)31)29-12-19(28-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 102n/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)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM136061
PNG
(US8853203, 99f | US9650377, Example 99f)
Show SMILES Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H19FN6O/c24-23-26-9-15(10-27-23)16-2-1-3-18-17(16)6-7-30-20(18)8-21(25-11-22(30)31)29-12-19(28-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20E+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 US8853203 (2014)


BindingDB Entry DOI: 10.7270/Q2MP520T
More data for this
Ligand-Target Pair