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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 213051   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM213051
PNG
(US9278960, 4-135 | US9663506, Example 4-135)
Show SMILES C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cn(C)nc2C)C[C@@H](O1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O2/c1-12-8-30(11-20(32-12)22(23,24)25)9-14-4-5-15-16(17-10-29(3)28-13(17)2)7-19(21(26)31)27-18(15)6-14/h4-7,10,12,20H,8-9,11H2,1-3H3,(H2,26,31)/t12-,20-/m1/s1
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n/an/a 8n/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 US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213051
PNG
(US9278960, 4-135 | US9663506, Example 4-135)
Show SMILES C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cn(C)nc2C)C[C@@H](O1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O2/c1-12-8-30(11-20(32-12)22(23,24)25)9-14-4-5-15-16(17-10-29(3)28-13(17)2)7-19(21(26)31)27-18(15)6-14/h4-7,10,12,20H,8-9,11H2,1-3H3,(H2,26,31)/t12-,20-/m1/s1
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PC cid
PC sid
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n/an/a 8n/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)


BindingDB Entry DOI: 10.7270/Q2PC34H4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213051
PNG
(US9278960, 4-135 | US9663506, Example 4-135)
Show SMILES C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cn(C)nc2C)C[C@@H](O1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O2/c1-12-8-30(11-20(32-12)22(23,24)25)9-14-4-5-15-16(17-10-29(3)28-13(17)2)7-19(21(26)31)27-18(15)6-14/h4-7,10,12,20H,8-9,11H2,1-3H3,(H2,26,31)/t12-,20-/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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US Patent
n/an/a 8n/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)


BindingDB Entry DOI: 10.7270/Q2F191TK
More data for this
Ligand-Target Pair