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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 466.9
BDBM290560

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))
BDBM290560
PNG
(US10099993, Compound 141)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(C(O)=O)c(Cl)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27ClO5/c1-16-24(11-10-21(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-9-20(26(31)32)22(28)13-19/h5-13,30H,14-15H2,1-4H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 656n/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))
BDBM290560
PNG
(US10099993, Compound 141)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(C(O)=O)c(Cl)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27ClO5/c1-16-24(11-10-21(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-9-20(26(31)32)22(28)13-19/h5-13,30H,14-15H2,1-4H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 391n/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