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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 3' and Ligand = 'BDBM50542315'   
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))
BDBM50542315
PNG
(CHEMBL4642428)
Show SMILES CC[C@@](O)(c1cn(nn1)C(C)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F4N5O2/c1-3-23(35,24(26,27)28)21-12-33(32-31-21)13(2)15-6-9-17-18(14-4-7-16(25)8-5-14)11-20(22(29)34)30-19(17)10-15/h4-13,35H,3H2,1-2H3,(H2,29,34)/t13?,23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human mGluR3 by FLIPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50542315
PNG
(CHEMBL4642428)
Show SMILES CC[C@@](O)(c1cn(nn1)C(C)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F4N5O2/c1-3-23(35,24(26,27)28)21-12-33(32-31-21)13(2)15-6-9-17-18(14-4-7-16(25)8-5-14)11-20(22(29)34)30-19(17)10-15/h4-13,35H,3H2,1-2H3,(H2,29,34)/t13?,23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human mGluR3 by FLIPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ
More data for this
Ligand-Target Pair