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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 2' and Ligand = 'BDBM213062'   
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 2


(Homo sapiens (Human))
BDBM213062
PNG
(US9278960, 6-11 | US9278960, 6-9 | US9663506, Exam...)
Show SMILES COc1ncc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C22H17FN4O2/c1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13/h2-7,9-12H,8H2,1H3,(H2,24,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9663506 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213062
PNG
(US9278960, 6-11 | US9278960, 6-9 | US9663506, Exam...)
Show SMILES COc1ncc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C22H17FN4O2/c1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13/h2-7,9-12H,8H2,1H3,(H2,24,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213062
PNG
(US9278960, 6-11 | US9278960, 6-9 | US9663506, Exam...)
Show SMILES COc1ncc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C22H17FN4O2/c1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13/h2-7,9-12H,8H2,1H3,(H2,24,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9663506 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213062
PNG
(US9278960, 6-11 | US9278960, 6-9 | US9663506, Exam...)
Show SMILES COc1ncc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C22H17FN4O2/c1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13/h2-7,9-12H,8H2,1H3,(H2,24,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair