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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 = 'BDBM96596'   
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))
BDBM96596
PNG
(2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol | 2...)
Show SMILES OCCNc1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H16N4O/c21-11-10-17-15-13-8-4-5-9-14(13)19-16(20-15)18-12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H2,17,18,19,20)
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PC cid
PC sid
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n/an/a 200n/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))
BDBM96596
PNG
(2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol | 2...)
Show SMILES OCCNc1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H16N4O/c21-11-10-17-15-13-8-4-5-9-14(13)19-16(20-15)18-12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H2,17,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 63.4n/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