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BDBM160821 US9682980, 3-(Cyclopropylmethyl)-7-(4-(3,6-difluoro-2-methoxyphenyl)piperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

SMILES: COc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F

InChI Key: InChIKey=PAKBPSCCHQARLS-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 = 160821   
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))
BDBM160821
PNG
(US9682980, 3-(Cyclopropylmethyl)-7-(4-(3,6-difluor...)
Show SMILES COc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C22H22F5N5O/c1-33-20-15(24)5-4-14(23)18(20)13-6-8-31(9-7-13)16-11-28-32-17(10-12-2-3-12)29-30-21(32)19(16)22(25,26)27/h4-5,11-13H,2-3,6-10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.200n/an/a7.0n/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