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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 = 'BDBM96911'   
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))
BDBM96911
PNG
(2-(3-bromobenzyl)oxy-N-[(E)-(5-methyl-2-furyl)meth...)
Show SMILES Cc1ccc(\C=N\NC(=O)c2ccccc2OCc2cccc(Br)c2)o1
Show InChI InChI=1S/C20H17BrN2O3/c1-14-9-10-17(26-14)12-22-23-20(24)18-7-2-3-8-19(18)25-13-15-5-4-6-16(21)11-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+
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PC cid
PC sid
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n/an/a 3.69E+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/Q2BR8QSB
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96911
PNG
(2-(3-bromobenzyl)oxy-N-[(E)-(5-methyl-2-furyl)meth...)
Show SMILES Cc1ccc(\C=N\NC(=O)c2ccccc2OCc2cccc(Br)c2)o1
Show InChI InChI=1S/C20H17BrN2O3/c1-14-9-10-17(26-14)12-22-23-20(24)18-7-2-3-8-19(18)25-13-15-5-4-6-16(21)11-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20G3HS3
More data for this
Ligand-Target Pair