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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 = 'BDBM96810'   
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))
BDBM96810
PNG
((2-anilino-6-methyl-pyrimidin-4-yl)-dimethyl-amine...)
Show SMILES CN(C)c1cc(C)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C13H16N4/c1-10-9-12(17(2)3)16-13(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16)
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PC cid
PC sid
UniChem
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n/an/a 273n/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))
BDBM96810
PNG
((2-anilino-6-methyl-pyrimidin-4-yl)-dimethyl-amine...)
Show SMILES CN(C)c1cc(C)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C13H16N4/c1-10-9-12(17(2)3)16-13(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 128n/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