BindingDB logo
myBDB logout

BDBM250277 US9452980, 187

SMILES: Clc1ccc(cc1)C(=O)Nc1ccc(cn1)C1CCCNC1

InChI Key: InChIKey=COFTYTLVJXMKLZ-UHFFFAOYNA-N

Data: 1 KI

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 = 250277   
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))
BDBM250277
PNG
(US9452980, 187)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cn1)C1CCCNC1
Show InChI InChI=1/C17H18ClN3O/c18-15-6-3-12(4-7-15)17(22)21-16-8-5-14(11-20-16)13-2-1-9-19-10-13/h3-8,11,13,19H,1-2,9-10H2,(H,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
12.3 -11.2n/an/an/an/an/a7.437



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%, hea...


US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair