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SMILES: Clc1ccc(NC(=O)Nc2ccc(C[C@@]34CN[C@@H](CO3)C4)cc2)cc1

InChI Key: InChIKey=YCYBXHWOLFRAJP-IEBWSBKVSA-N

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 = 330179   
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))
BDBM330179
PNG
(1-(4-Chlorophenyl)-3-[4-[[(1R,4R)-5-oxa-2-azabicyc...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(C[C@@]34CN[C@@H](CO3)C4)cc2)cc1 |r|
Show InChI InChI=1S/C19H20ClN3O2/c20-14-3-7-16(8-4-14)23-18(24)22-15-5-1-13(2-6-15)9-19-10-17(11-25-19)21-12-19/h1-8,17,21H,9-12H2,(H2,22,23,24)/t17-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37.5n/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


(Mus musculus (Mouse))
BDBM330179
PNG
(1-(4-Chlorophenyl)-3-[4-[[(1R,4R)-5-oxa-2-azabicyc...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(C[C@@]34CN[C@@H](CO3)C4)cc2)cc1 |r|
Show InChI InChI=1S/C19H20ClN3O2/c20-14-3-7-16(8-4-14)23-18(24)22-15-5-1-13(2-6-15)9-19-10-17(11-25-19)21-12-19/h1-8,17,21H,9-12H2,(H2,22,23,24)/t17-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.7n/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