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BDBM129457 US8802673, 99

SMILES: Fc1cc(ccc1Nc1ccc(Cl)cn1)C1CNCCO1

InChI Key: InChIKey=ZUJGDENZVATUCK-UHFFFAOYSA-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 = 129457   
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))
BDBM129457
PNG
(US8802673, 99)
Show SMILES Fc1cc(ccc1Nc1ccc(Cl)cn1)C1CNCCO1
Show InChI InChI=1S/C15H15ClFN3O/c16-11-2-4-15(19-8-11)20-13-3-1-10(7-12(13)17)14-9-18-5-6-21-14/h1-4,7-8,14,18H,5-6,9H2,(H,19,20)
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))
BDBM129457
PNG
(US8802673, 99)
Show SMILES Fc1cc(ccc1Nc1ccc(Cl)cn1)C1CNCCO1
Show InChI InChI=1S/C15H15ClFN3O/c16-11-2-4-15(19-8-11)20-13-3-1-10(7-12(13)17)14-9-18-5-6-21-14/h1-4,7-8,14,18H,5-6,9H2,(H,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
18.5 -11.0n/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