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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.4
BDBM135995

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))
BDBM135995
PNG
(US8853203, 50 | US9650377, Example 50)
Show SMILES COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccn3)C2=C1 |c:32,t:9|
Show InChI InChI=1S/C24H20N4O2/c1-30-23-13-16(8-11-26-23)21-14-22-19-6-4-5-18(20-7-2-3-10-25-20)17(19)9-12-28(22)24(29)15-27-21/h2-8,10-11,13-14H,9,12,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 46n/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))
BDBM135995
PNG
(US8853203, 50 | US9650377, Example 50)
Show SMILES COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccn3)C2=C1 |c:32,t:9|
Show InChI InChI=1S/C24H20N4O2/c1-30-23-13-16(8-11-26-23)21-14-22-19-6-4-5-18(20-7-2-3-10-25-20)17(19)9-12-28(22)24(29)15-27-21/h2-8,10-11,13-14H,9,12,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 46n/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))
BDBM135995
PNG
(US8853203, 50 | US9650377, Example 50)
Show SMILES COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccn3)C2=C1 |c:32,t:9|
Show InChI InChI=1S/C24H20N4O2/c1-30-23-13-16(8-11-26-23)21-14-22-19-6-4-5-18(20-7-2-3-10-25-20)17(19)9-12-28(22)24(29)15-27-21/h2-8,10-11,13-14H,9,12,15H2,1H3
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))
BDBM135995
PNG
(US8853203, 50 | US9650377, Example 50)
Show SMILES COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccn3)C2=C1 |c:32,t:9|
Show InChI InChI=1S/C24H20N4O2/c1-30-23-13-16(8-11-26-23)21-14-22-19-6-4-5-18(20-7-2-3-10-25-20)17(19)9-12-28(22)24(29)15-27-21/h2-8,10-11,13-14H,9,12,15H2,1H3
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