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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 516.5
BDBM290541

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


(Homo sapiens (Human))
BDBM290541
PNG
(US10099993, Compound 122)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(COc2ccc(\C=C\C(O)=O)c(O)c2)c1)C(=O)CC1CCCC1
Show InChI InChI=1S/C31H32O7/c1-20-29(13-12-26(31(20)36)28(33)16-21-5-2-3-6-21)38-19-23-8-4-7-22(15-23)18-37-25-11-9-24(27(32)17-25)10-14-30(34)35/h4,7-15,17,21,32,36H,2-3,5-6,16,18-19H2,1H3,(H,34,35)/b14-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>3.00E+4n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290541
PNG
(US10099993, Compound 122)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(COc2ccc(\C=C\C(O)=O)c(O)c2)c1)C(=O)CC1CCCC1
Show InChI InChI=1S/C31H32O7/c1-20-29(13-12-26(31(20)36)28(33)16-21-5-2-3-6-21)38-19-23-8-4-7-22(15-23)18-37-25-11-9-24(27(32)17-25)10-14-30(34)35/h4,7-15,17,21,32,36H,2-3,5-6,16,18-19H2,1H3,(H,34,35)/b14-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>3.00E+4n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair