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BDBM213116 US9278960, 8-23::US9278960, 8-24::US9636337, 8-24

SMILES: CC(Cc1cccnc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1

InChI Key: InChIKey=YLZBQHWHKPXHPN-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 213116   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM213116
PNG
(US9278960, 8-23 | US9278960, 8-24 | US9636337, 8-2...)
Show SMILES CC(Cc1cccnc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O/c1-15(11-16-3-2-10-27-14-16)18-6-9-20-21(17-4-7-19(25)8-5-17)13-23(24(26)29)28-22(20)12-18/h2-10,12-15H,11H2,1H3,(H2,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM213116
PNG
(US9278960, 8-23 | US9278960, 8-24 | US9636337, 8-2...)
Show SMILES CC(Cc1cccnc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O/c1-15(11-16-3-2-10-27-14-16)18-6-9-20-21(17-4-7-19(25)8-5-17)13-23(24(26)29)28-22(20)12-18/h2-10,12-15H,11H2,1H3,(H2,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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))
BDBM213116
PNG
(US9278960, 8-23 | US9278960, 8-24 | US9636337, 8-2...)
Show SMILES CC(Cc1cccnc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O/c1-15(11-16-3-2-10-27-14-16)18-6-9-20-21(17-4-7-19(25)8-5-17)13-23(24(26)29)28-22(20)12-18/h2-10,12-15H,11H2,1H3,(H2,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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))
BDBM213116
PNG
(US9278960, 8-23 | US9278960, 8-24 | US9636337, 8-2...)
Show SMILES CC(Cc1cccnc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O/c1-15(11-16-3-2-10-27-14-16)18-6-9-20-21(17-4-7-19(25)8-5-17)13-23(24(26)29)28-22(20)12-18/h2-10,12-15H,11H2,1H3,(H2,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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))
BDBM213116
PNG
(US9278960, 8-23 | US9278960, 8-24 | US9636337, 8-2...)
Show SMILES CC(Cc1cccnc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O/c1-15(11-16-3-2-10-27-14-16)18-6-9-20-21(17-4-7-19(25)8-5-17)13-23(24(26)29)28-22(20)12-18/h2-10,12-15H,11H2,1H3,(H2,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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))
BDBM213116
PNG
(US9278960, 8-23 | US9278960, 8-24 | US9636337, 8-2...)
Show SMILES CC(Cc1cccnc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O/c1-15(11-16-3-2-10-27-14-16)18-6-9-20-21(17-4-7-19(25)8-5-17)13-23(24(26)29)28-22(20)12-18/h2-10,12-15H,11H2,1H3,(H2,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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