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BDBM330172 4-Chloro-N-[4-[[(1 S,4S)-5-oxa-2-azabicyclo[2.2.1]heptan-4-yl]methyl]phenyl]-3-propyl-1H-pyrazole-5-carboxamide::US9663530, Example 16

SMILES: CCCc1n[nH]c(C(=O)Nc2ccc(C[C@]34CN[C@H](CO3)C4)cc2)c1Cl

InChI Key:

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 = 330172   
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 (TAAR1)


(Rattus norvegicus (Rat))
BDBM330172
PNG
(4-Chloro-N-[4-[[(1 S,4S)-5-oxa-2-azabicyclo[2.2.1]...)
Show SMILES CCCc1n[nH]c(C(=O)Nc2ccc(C[C@]34CN[C@H](CO3)C4)cc2)c1Cl |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 277n/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 US9663530 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JMC
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM330172
PNG
(4-Chloro-N-[4-[[(1 S,4S)-5-oxa-2-azabicyclo[2.2.1]...)
Show SMILES CCCc1n[nH]c(C(=O)Nc2ccc(C[C@]34CN[C@H](CO3)C4)cc2)c1Cl |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 476n/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 US9663530 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JMC
More data for this
Ligand-Target Pair