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BDBM50227975 CHEMBL4087775

SMILES: [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccccc1Cl

InChI Key: InChIKey=ODEDYCTVVHOSHW-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50227975   
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))
BDBM50227975
PNG
(CHEMBL4087775)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccccc1Cl
Show InChI InChI=1S/C9H12ClN5/c10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 410n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50227975
PNG
(CHEMBL4087775)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccccc1Cl
Show InChI InChI=1S/C9H12ClN5/c10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227975
PNG
(CHEMBL4087775)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccccc1Cl
Show InChI InChI=1S/C9H12ClN5/c10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair