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BDBM50292711 CHEMBL3628707

SMILES: NC(=N)NC(=N)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=LQWASOLNMNSTSB-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 = 50292711   
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 5


(Mus musculus)
BDBM50292711
PNG
(CHEMBL3628707)
Show SMILES NC(=N)NC(=N)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H18N6/c13-11(14)16-12(15)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H5,13,14,15,16)
UniProtKB/SwissProt
UniProtKB/TrEMBL

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Article
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 146: 171-184 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.059
BindingDB Entry DOI: 10.7270/Q2445Q0T
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50292711
PNG
(CHEMBL3628707)
Show SMILES NC(=N)NC(=N)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H18N6/c13-11(14)16-12(15)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H5,13,14,15,16)
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KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/an/an/a 2.38E+3n/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 146: 171-184 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.059
BindingDB Entry DOI: 10.7270/Q2445Q0T
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50292711
PNG
(CHEMBL3628707)
Show SMILES NC(=N)NC(=N)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H18N6/c13-11(14)16-12(15)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H5,13,14,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.38E+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 146: 171-184 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.059
BindingDB Entry DOI: 10.7270/Q2445Q0T
More data for this
Ligand-Target Pair