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BDBM96721 1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione::5-Phenethyl-1-p-tolyl-[1,3,5]triazinane-2-thione::5-phenethyl-1-(p-tolyl)-1,3,5-triazinane-2-thione::MLS000769893::SMR000434626::cid_751676

SMILES: Cc1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S

InChI Key: InChIKey=MGHZFAKRAMXRBC-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 96721   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96721
PNG
(1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazin...)
Show SMILES Cc1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S
Show InChI InChI=1S/C18H21N3S/c1-15-7-9-17(10-8-15)21-14-20(13-19-18(21)22)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
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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/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96721
PNG
(1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazin...)
Show SMILES Cc1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S
Show InChI InChI=1S/C18H21N3S/c1-15-7-9-17(10-8-15)21-14-20(13-19-18(21)22)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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/Q2QZ28KG
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96721
PNG
(1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazin...)
Show SMILES Cc1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S
Show InChI InChI=1S/C18H21N3S/c1-15-7-9-17(10-8-15)21-14-20(13-19-18(21)22)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
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KEGG

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PCBioAssay
n/an/an/an/a 1.16E+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
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96721
PNG
(1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazin...)
Show SMILES Cc1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S
Show InChI InChI=1S/C18H21N3S/c1-15-7-9-17(10-8-15)21-14-20(13-19-18(21)22)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.74E+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