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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 = 'BDBM96696'   
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))
BDBM96696
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,4-dichl...)
Show SMILES Cc1nnn(-c2nonc2N)c1C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N8O3/c1-5-9(23(22-17-5)11-10(16)20-26-21-11)13(25)19-18-12(24)6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H2,16,20)(H,18,24)(H,19,25)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>2.99E+4n/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))
BDBM96696
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,4-dichl...)
Show SMILES Cc1nnn(-c2nonc2N)c1C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N8O3/c1-5-9(23(22-17-5)11-10(16)20-26-21-11)13(25)19-18-12(24)6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H2,16,20)(H,18,24)(H,19,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.05E+3n/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