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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1' and Ligand = 'BDBM96553'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96553
PNG
(3-(3-Phenyl-pyrrolidin-1-yl)-1-thiophen-2-yl-propa...)
Show SMILES O=C(CCN1CCC(C1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C17H19NOS/c19-16(17-7-4-12-20-17)9-11-18-10-8-15(13-18)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
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PC cid
PC sid
UniChem
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n/an/a 1.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96553
PNG
(3-(3-Phenyl-pyrrolidin-1-yl)-1-thiophen-2-yl-propa...)
Show SMILES O=C(CCN1CCC(C1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C17H19NOS/c19-16(17-7-4-12-20-17)9-11-18-10-8-15(13-18)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 157n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair