BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 380.4
BDBM136098

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))
BDBM136098
PNG
(US8853203, 114 | US9650377, Example 114)
Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)COC3)C2=C1 |c:30,t:8|
Show InChI InChI=1S/C21H21FN4O2/c1-2-14-10-25(13-24-14)19-8-18-16-4-3-5-17(21(22)11-28-12-21)15(16)6-7-26(18)20(27)9-23-19/h3-5,8,10,13H,2,6-7,9,11-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.60E+3n/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))
BDBM136098
PNG
(US8853203, 114 | US9650377, Example 114)
Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)COC3)C2=C1 |c:30,t:8|
Show InChI InChI=1S/C21H21FN4O2/c1-2-14-10-25(13-24-14)19-8-18-16-4-3-5-17(21(22)11-28-12-21)15(16)6-7-26(18)20(27)9-23-19/h3-5,8,10,13H,2,6-7,9,11-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.60E+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 US8853203 (2014)


BindingDB Entry DOI: 10.7270/Q2MP520T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM136098
PNG
(US8853203, 114 | US9650377, Example 114)
Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)COC3)C2=C1 |c:30,t:8|
Show InChI InChI=1S/C21H21FN4O2/c1-2-14-10-25(13-24-14)19-8-18-16-4-3-5-17(21(22)11-28-12-21)15(16)6-7-26(18)20(27)9-23-19/h3-5,8,10,13H,2,6-7,9,11-12H2,1H3
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))
BDBM136098
PNG
(US8853203, 114 | US9650377, Example 114)
Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)COC3)C2=C1 |c:30,t:8|
Show InChI InChI=1S/C21H21FN4O2/c1-2-14-10-25(13-24-14)19-8-18-16-4-3-5-17(21(22)11-28-12-21)15(16)6-7-26(18)20(27)9-23-19/h3-5,8,10,13H,2,6-7,9,11-12H2,1H3
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