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BDBM129412 US8802673, 54

SMILES: Clc1cc(Nc2ccc(cc2)[C@H]2CNCCO2)nc2ccccc12

InChI Key: InChIKey=LHGVGOKKZJIOFM-GOSISDBHSA-N

Data: 2 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 2 hits for monomerid = 129412   
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)


(Mus musculus (Mouse))
BDBM129412
PNG
(US8802673, 54)
Show SMILES Clc1cc(Nc2ccc(cc2)[C@H]2CNCCO2)nc2ccccc12
Show InChI InChI=1S/C19H18ClN3O/c20-16-11-19(23-17-4-2-1-3-15(16)17)22-14-7-5-13(6-8-14)18-12-21-9-10-24-18/h1-8,11,18,21H,9-10,12H2,(H,22,23)/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.800 -12.9n/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%, heat ina...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129412
PNG
(US8802673, 54)
Show SMILES Clc1cc(Nc2ccc(cc2)[C@H]2CNCCO2)nc2ccccc12
Show InChI InChI=1S/C19H18ClN3O/c20-16-11-19(23-17-4-2-1-3-15(16)17)22-14-7-5-13(6-8-14)18-12-21-9-10-24-18/h1-8,11,18,21H,9-10,12H2,(H,22,23)/t18-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
13.8 -11.1n/an/an/an/an/a7.437



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 i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair