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BDBM348698 N-(6-Chloro-3-pyridyl)-4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]benzamide::US9790230, Example 60

SMILES: Clc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1

InChI Key: InChIKey=IROAUDZFULFRCF-OFQRWUPVSA-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 = 348698   
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))
BDBM348698
PNG
(N-(6-Chloro-3-pyridyl)-4-[(1S,3R,4S)-2-oxa-5-azabi...)
Show SMILES Clc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1 |r|
Show InChI InChI=1S/C17H16ClN3O2/c18-15-6-5-12(8-20-15)21-17(22)11-3-1-10(2-4-11)16-14-7-13(23-16)9-19-14/h1-6,8,13-14,16,19H,7,9H2,(H,21,22)/t13-,14-,16+/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.34E+3n/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))
BDBM348698
PNG
(N-(6-Chloro-3-pyridyl)-4-[(1S,3R,4S)-2-oxa-5-azabi...)
Show SMILES Clc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1 |r|
Show InChI InChI=1S/C17H16ClN3O2/c18-15-6-5-12(8-20-15)21-17(22)11-3-1-10(2-4-11)16-14-7-13(23-16)9-19-14/h1-6,8,13-14,16,19H,7,9H2,(H,21,22)/t13-,14-,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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