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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.4
BDBM136125

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
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))
BDBM136125
PNG
(US8853203, 141 | US9650377, Example 141)
Show SMILES Fc1cncc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Show InChI InChI=1S/C23H19FN6O/c24-21-10-25-9-18(28-21)16-2-1-3-17-15(16)6-7-30-20(17)8-22(26-11-23(30)31)29-12-19(27-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 26n/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))
BDBM136125
PNG
(US8853203, 141 | US9650377, Example 141)
Show SMILES Fc1cncc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Show InChI InChI=1S/C23H19FN6O/c24-21-10-25-9-18(28-21)16-2-1-3-17-15(16)6-7-30-20(17)8-22(26-11-23(30)31)29-12-19(27-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 26n/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))
BDBM136125
PNG
(US8853203, 141 | US9650377, Example 141)
Show SMILES Fc1cncc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Show InChI InChI=1S/C23H19FN6O/c24-21-10-25-9-18(28-21)16-2-1-3-17-15(16)6-7-30-20(17)8-22(26-11-23(30)31)29-12-19(27-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 402n/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))
BDBM136125
PNG
(US8853203, 141 | US9650377, Example 141)
Show SMILES Fc1cncc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Show InChI InChI=1S/C23H19FN6O/c24-21-10-25-9-18(28-21)16-2-1-3-17-15(16)6-7-30-20(17)8-22(26-11-23(30)31)29-12-19(27-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 402n/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