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BDBM222987 US9315518, 24-7

SMILES: CN1c2nc(ccc2N(CC2CC2(F)F)S1(=O)=O)C1=CC2CN(CC2C1)C(=O)C(C)(C)O

InChI Key: InChIKey=ZLXJBYSKCONUDP-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 222987   
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM222987
PNG
(US9315518, 24-7)
Show SMILES CN1c2nc(ccc2N(CC2CC2(F)F)S1(=O)=O)C1=CC2CN(CC2C1)C(=O)C(C)(C)O |t:21|
Show InChI InChI=1S/C21H26F2N4O4S/c1-20(2,29)19(28)26-9-13-6-12(7-14(13)10-26)16-4-5-17-18(24-16)25(3)32(30,31)27(17)11-15-8-21(15,22)23/h4-6,13-15,29H,7-11H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 88.6n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The stimulation of [35S]-GTPγS binding is a common functional assay to monitor Gαi-coupled receptor in native and recombinant receptor memb...


US Patent US9315518 (2016)


BindingDB Entry DOI: 10.7270/Q2G44P5C
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222987
PNG
(US9315518, 24-7)
Show SMILES CN1c2nc(ccc2N(CC2CC2(F)F)S1(=O)=O)C1=CC2CN(CC2C1)C(=O)C(C)(C)O |t:21|
Show InChI InChI=1S/C21H26F2N4O4S/c1-20(2,29)19(28)26-9-13-6-12(7-14(13)10-26)16-4-5-17-18(24-16)25(3)32(30,31)27(17)11-15-8-21(15,22)23/h4-6,13-15,29H,7-11H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 48.5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)


BindingDB Entry DOI: 10.7270/Q2G44P5C
More data for this
Ligand-Target Pair