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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 368.3
BDBM196832

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 3


(Rattus norvegicus (Rat))
BDBM196832
PNG
(5-(4-fluorophenyl)-2-(((2-fluorophenyl)(methyl)ami...)
Show SMILES CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1ccccc1F
Show InChI InChI=1S/C20H18F2N4O/c1-24(18-5-3-2-4-17(18)22)13-15-12-19-20(27)25(10-11-26(19)23-15)16-8-6-14(21)7-9-16/h2-9,12H,10-11,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 876n/an/an/an/an/a25



Vanderbilt University

US Patent


Assay Description
HEK 293A cells stably expressing rat mGlu5 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 μL of assay m...


US Patent US9676782 (2017)


BindingDB Entry DOI: 10.7270/Q2B8569W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM196832
PNG
(5-(4-fluorophenyl)-2-(((2-fluorophenyl)(methyl)ami...)
Show SMILES CN(Cc1cc2C(=O)N(CCn2n1)c1ccc(F)cc1)c1ccccc1F
Show InChI InChI=1S/C20H18F2N4O/c1-24(18-5-3-2-4-17(18)22)13-15-12-19-20(27)25(10-11-26(19)23-15)16-8-6-14(21)7-9-16/h2-9,12H,10-11,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+4n/an/an/an/an/a25



Vanderbilt University

US Patent


Assay Description
Gα15/TREx cells stably expressing rat mGlu3 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 μL of a...


US Patent US9676782 (2017)


BindingDB Entry DOI: 10.7270/Q2B8569W
More data for this
Ligand-Target Pair