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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 409.4
BDBM136142

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

Found 2 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))
BDBM136142
PNG
(US8853203, 133)
Show SMILES Cc1ccc(nc1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Show InChI InChI=1S/C25H23N5O/c1-16-5-8-21(26-12-16)19-3-2-4-20-18(19)9-10-30-23(20)11-24(27-13-25(30)31)29-14-22(28-15-29)17-6-7-17/h2-5,8,11-12,14-15,17H,6-7,9-10,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 215n/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))
BDBM136142
PNG
(US8853203, 133)
Show SMILES Cc1ccc(nc1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Show InChI InChI=1S/C25H23N5O/c1-16-5-8-21(26-12-16)19-3-2-4-20-18(19)9-10-30-23(20)11-24(27-13-25(30)31)29-14-22(28-15-29)17-6-7-17/h2-5,8,11-12,14-15,17H,6-7,9-10,13H2,1H3
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