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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 = 'BDBM96903'   
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))
BDBM96903
PNG
(4-[(2-chloranylphenoxy)methyl]-N-[3,5-dimethyl-1-[...)
Show SMILES Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccccc2Cl)cc1
Show InChI InChI=1S/C26H19ClF5N3O2/c1-13-25(14(2)35(34-13)11-17-20(28)22(30)24(32)23(31)21(17)29)33-26(36)16-9-7-15(8-10-16)12-37-19-6-4-3-5-18(19)27/h3-10H,11-12H2,1-2H3,(H,33,36)
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PC cid
PC sid
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n/an/a 277n/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))
BDBM96903
PNG
(4-[(2-chloranylphenoxy)methyl]-N-[3,5-dimethyl-1-[...)
Show SMILES Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccccc2Cl)cc1
Show InChI InChI=1S/C26H19ClF5N3O2/c1-13-25(14(2)35(34-13)11-17-20(28)22(30)24(32)23(31)21(17)29)33-26(36)16-9-7-15(8-10-16)12-37-19-6-4-3-5-18(19)27/h3-10H,11-12H2,1-2H3,(H,33,36)
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