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BDBM160743 US9682980, 8-Chloro-7-(4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine

SMILES: COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl

InChI Key: InChIKey=MVYVBNSSZPUYGJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 160743   
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))
BDBM160743
PNG
(US9682980, 8-Chloro-7-(4-(2-fluoro-6-methoxyphenyl...)
Show SMILES COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
Show InChI InChI=1S/C19H18ClF4N5O/c1-30-14-4-2-3-12(21)16(14)11-5-7-28(8-6-11)13-10-25-29-15(9-19(22,23)24)26-27-18(29)17(13)20/h2-4,10-11H,5-9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 2n/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