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BDBM348645 4-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide::US9790230, Example 7

SMILES: Clc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2

InChI Key: InChIKey=GHJFGJGLTJUPAX-ZACQAIPSSA-N

Data: 2 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 2 hits for monomerid = 348645   
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
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM348645
PNG
(4-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r|
Show InChI InChI=1S/C18H17ClN2O2/c19-13-5-1-12(2-6-13)18(22)21-14-7-3-11(4-8-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 106n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9790230 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T8R
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM348645
PNG
(4-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r|
Show InChI InChI=1S/C18H17ClN2O2/c19-13-5-1-12(2-6-13)18(22)21-14-7-3-11(4-8-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat in...


US Patent US9790230 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T8R
More data for this
Ligand-Target Pair