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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 8' and Ligand = 'BDBM50283481'   
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 8


(Rattus norvegicus (Rat))
BDBM50283481
PNG
(CHEMBL4160675)
Show SMILES CCc1nn2c(cc(C)nc2c1-c1cc(F)c(OC(F)F)cc1F)C(F)(F)F |(25.69,-48.74,;24.92,-50.08,;23.38,-50.09,;22.48,-48.85,;21.02,-49.33,;19.69,-48.56,;18.36,-49.33,;18.36,-50.87,;17.03,-51.64,;19.69,-51.64,;21.03,-50.86,;22.49,-51.33,;22.97,-52.79,;21.94,-53.94,;22.43,-55.4,;21.4,-56.55,;23.94,-55.71,;24.42,-57.17,;23.4,-58.33,;23.88,-59.79,;21.89,-58.02,;24.96,-54.56,;24.47,-53.1,;25.5,-51.95,;19.69,-47.02,;21.03,-46.24,;18.36,-46.24,;19.68,-45.48,)|
Show InChI InChI=1S/C17H12F7N3O/c1-3-11-14(8-5-10(19)12(6-9(8)18)28-16(20)21)15-25-7(2)4-13(17(22,23)24)27(15)26-11/h4-6,16H,3H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 890n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu8 receptor expressed in HEK cells co-expressing Galphai5 assessed as increase in glutamate-induced calcium ...


ACS Med Chem Lett 8: 1110-1115 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00317
BindingDB Entry DOI: 10.7270/Q2B85BN1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50283481
PNG
(CHEMBL4160675)
Show SMILES CCc1nn2c(cc(C)nc2c1-c1cc(F)c(OC(F)F)cc1F)C(F)(F)F |(25.69,-48.74,;24.92,-50.08,;23.38,-50.09,;22.48,-48.85,;21.02,-49.33,;19.69,-48.56,;18.36,-49.33,;18.36,-50.87,;17.03,-51.64,;19.69,-51.64,;21.03,-50.86,;22.49,-51.33,;22.97,-52.79,;21.94,-53.94,;22.43,-55.4,;21.4,-56.55,;23.94,-55.71,;24.42,-57.17,;23.4,-58.33,;23.88,-59.79,;21.89,-58.02,;24.96,-54.56,;24.47,-53.1,;25.5,-51.95,;19.69,-47.02,;21.03,-46.24,;18.36,-46.24,;19.68,-45.48,)|
Show InChI InChI=1S/C17H12F7N3O/c1-3-11-14(8-5-10(19)12(6-9(8)18)28-16(20)21)15-25-7(2)4-13(17(22,23)24)27(15)26-11/h4-6,16H,3H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 891n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu8 receptor expressed in HEK cells co-expressing Galphai5 assessed as increase in glutamate-induced calcium ...


ACS Med Chem Lett 8: 1110-1115 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00317
BindingDB Entry DOI: 10.7270/Q2B85BN1
More data for this
Ligand-Target Pair