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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 349.4
BDBM50512696
Wt: 349.4
BDBM50512694
Wt: 349.4
BDBM50512687
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat))
BDBM50512694
(CHEMBL4554871)
Show SMILES
C[C@H](COc1ccccc1)COc1ccn(-c2cccc(C)c2)c(=O)c1 |r|
Show InChI
InChI=1S/C22H23NO3/c1-17-7-6-8-19(13-17)23-12-11-21(14-22(23)24)26-16-18(2)15-25-20-9-4-3-5-10-20/h3-14,18H,15-16H2,1-2H3/t18-/m1/s1
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.30E+3
n/a
n/a
n/a
n/a
n/a
n/a
Vanderbilt University
Curated by
ChEMBL
Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux
Bioorg Med Chem Lett
29:
2670
-
2674
(2019)
Article DOI:
10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI:
10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat))
BDBM50512696
(CHEMBL4519557)
Show SMILES
C[C@@H](COc1ccccc1)COc1ccn(-c2cccc(C)c2)c(=O)c1 |r|
Show InChI
InChI=1S/C22H23NO3/c1-17-7-6-8-19(13-17)23-12-11-21(14-22(23)24)26-16-18(2)15-25-20-9-4-3-5-10-20/h3-14,18H,15-16H2,1-2H3/t18-/m0/s1
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
Vanderbilt University
Curated by
ChEMBL
Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux
Bioorg Med Chem Lett
29:
2670
-
2674
(2019)
Article DOI:
10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI:
10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat))
BDBM50512687
(CHEMBL4586828)
Show SMILES
CC(COc1ccccc1)COc1ccn(-c2cccc(C)c2)c(=O)c1
Show InChI
InChI=1S/C22H23NO3/c1-17-7-6-8-19(13-17)23-12-11-21(14-22(23)24)26-16-18(2)15-25-20-9-4-3-5-10-20/h3-14,18H,15-16H2,1-2H3
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
Vanderbilt University
Curated by
ChEMBL
Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux
Bioorg Med Chem Lett
29:
2670
-
2674
(2019)
Article DOI:
10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI:
10.7270/Q2KP85HM
More data for this
Ligand-Target Pair