BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.4
BDBM135972

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))
BDBM135972
PNG
(US8853203, 26 | US9650377, Example 26)
Show SMILES COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:29,t:9|
Show InChI InChI=1S/C23H24N2O3/c1-23(2,27)19-9-5-8-18-17(19)10-11-25-21(18)13-20(24-14-22(25)26)15-6-4-7-16(12-15)28-3/h4-9,12-13,27H,10-11,14H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 235n/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))
BDBM135972
PNG
(US8853203, 26 | US9650377, Example 26)
Show SMILES COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:29,t:9|
Show InChI InChI=1S/C23H24N2O3/c1-23(2,27)19-9-5-8-18-17(19)10-11-25-21(18)13-20(24-14-22(25)26)15-6-4-7-16(12-15)28-3/h4-9,12-13,27H,10-11,14H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 235n/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))
BDBM135972
PNG
(US8853203, 26 | US9650377, Example 26)
Show SMILES COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:29,t:9|
Show InChI InChI=1S/C23H24N2O3/c1-23(2,27)19-9-5-8-18-17(19)10-11-25-21(18)13-20(24-14-22(25)26)15-6-4-7-16(12-15)28-3/h4-9,12-13,27H,10-11,14H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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 1


(Homo sapiens (Human))
BDBM135972
PNG
(US8853203, 26 | US9650377, Example 26)
Show SMILES COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:29,t:9|
Show InChI InChI=1S/C23H24N2O3/c1-23(2,27)19-9-5-8-18-17(19)10-11-25-21(18)13-20(24-14-22(25)26)15-6-4-7-16(12-15)28-3/h4-9,12-13,27H,10-11,14H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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 US8853203 (2014)


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