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BDBM96636 4-(5-Phenethyl-2-thioxo-[1,3,5]triazinan-1-yl)-benzoic acid ethyl ester::4-(5-phenethyl-2-thioxo-1,3,5-triazinan-1-yl)benzoic acid ethyl ester::4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester::MLS000589773::SMR000219558::cid_980466::ethyl 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate

SMILES: CCOC(=O)c1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S

InChI Key: InChIKey=BIHPEXBRJDRAAX-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 = 96636   
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))
BDBM96636
PNG
(4-(5-Phenethyl-2-thioxo-[1,3,5]triazinan-1-yl)-ben...)
Show SMILES CCOC(=O)c1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S
Show InChI InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26)
UniProtKB/SwissProt

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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))
BDBM96636
PNG
(4-(5-Phenethyl-2-thioxo-[1,3,5]triazinan-1-yl)-ben...)
Show SMILES CCOC(=O)c1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S
Show InChI InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26)
UniProtKB/SwissProt

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))
BDBM96636
PNG
(4-(5-Phenethyl-2-thioxo-[1,3,5]triazinan-1-yl)-ben...)
Show SMILES CCOC(=O)c1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S
Show InChI InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26)
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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 68.5n/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))
BDBM96636
PNG
(4-(5-Phenethyl-2-thioxo-[1,3,5]triazinan-1-yl)-ben...)
Show SMILES CCOC(=O)c1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S
Show InChI InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 776n/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