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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 = 'BDBM96761'   
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))
BDBM96761
PNG
(6,8-Dimethyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-...)
Show SMILES Cc1cccc(CCNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1
Show InChI InChI=1S/C21H24N2O/c1-14-5-4-6-17(10-14)7-8-22-13-19-12-18-11-15(2)9-16(3)20(18)23-21(19)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24)
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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 1.84E+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))
BDBM96761
PNG
(6,8-Dimethyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-...)
Show SMILES Cc1cccc(CCNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1
Show InChI InChI=1S/C21H24N2O/c1-14-5-4-6-17(10-14)7-8-22-13-19-12-18-11-15(2)9-16(3)20(18)23-21(19)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 730n/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