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BDBM160807 US9682980, 3-(Cyclopropylmethyl)-7-(4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

SMILES: COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F

InChI Key: InChIKey=VYBJYUDHAXSWIU-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 160807   
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))
BDBM160807
PNG
(US9682980, 3-(Cyclopropylmethyl)-7-(4-(2-fluoro-6-...)
Show SMILES COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C22H23F4N5O/c1-32-17-4-2-3-15(23)19(17)14-7-9-30(10-8-14)16-12-27-31-18(11-13-5-6-13)28-29-21(31)20(16)22(24,25)26/h2-4,12-14H,5-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 4n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...


US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM160807
PNG
(US9682980, 3-(Cyclopropylmethyl)-7-(4-(2-fluoro-6-...)
Show SMILES COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C22H23F4N5O/c1-32-17-4-2-3-15(23)19(17)14-7-9-30(10-8-14)16-12-27-31-18(11-13-5-6-13)28-29-21(31)20(16)22(24,25)26/h2-4,12-14H,5-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS...


US Patent US9682980 (2017)


BindingDB Entry DOI: 10.7270/Q2J964JS
More data for this
Ligand-Target Pair