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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 422.4
BDBM290577

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))
BDBM290577
PNG
(US10099993, Compound 158)
Show SMILES Cc1c(OCc2ccc(o2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Show InChI InChI=1S/C25H26O6/c1-15-21(11-9-19(23(15)27)20(26)13-25(2,3)4)30-14-18-8-10-22(31-18)16-6-5-7-17(12-16)24(28)29/h5-12,27H,13-14H2,1-4H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 421n/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))
BDBM290577
PNG
(US10099993, Compound 158)
Show SMILES Cc1c(OCc2ccc(o2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Show InChI InChI=1S/C25H26O6/c1-15-21(11-9-19(23(15)27)20(26)13-25(2,3)4)30-14-18-8-10-22(31-18)16-6-5-7-17(12-16)24(28)29/h5-12,27H,13-14H2,1-4H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 328n/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