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BDBM96663 3-[1-(2-phenylethyl)-5-(2-thienyl)-1H-pyrrol-2-yl]propanoic acid::3-[1-(2-phenylethyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid::3-[1-(2-phenylethyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid::3-[1-(2-phenylethyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid::3-[1-phenethyl-5-(2-thienyl)pyrrol-2-yl]propionic acid::MLS000693205::SMR000299607::cid_893906

SMILES: OC(=O)CCc1ccc(-c2cccs2)n1CCc1ccccc1

InChI Key: InChIKey=DHBAWOOZJVXOPU-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 = 96663   
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))
BDBM96663
PNG
(3-[1-(2-phenylethyl)-5-(2-thienyl)-1H-pyrrol-2-yl]...)
Show SMILES OC(=O)CCc1ccc(-c2cccs2)n1CCc1ccccc1
Show InChI InChI=1S/C19H19NO2S/c21-19(22)11-9-16-8-10-17(18-7-4-14-23-18)20(16)13-12-15-5-2-1-3-6-15/h1-8,10,14H,9,11-13H2,(H,21,22)
UniProtKB/SwissProt
UniProtKB/TrEMBL

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


(Homo sapiens (Human))
BDBM96663
PNG
(3-[1-(2-phenylethyl)-5-(2-thienyl)-1H-pyrrol-2-yl]...)
Show SMILES OC(=O)CCc1ccc(-c2cccs2)n1CCc1ccccc1
Show InChI InChI=1S/C19H19NO2S/c21-19(22)11-9-16-8-10-17(18-7-4-14-23-18)20(16)13-12-15-5-2-1-3-6-15/h1-8,10,14H,9,11-13H2,(H,21,22)
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))
BDBM96663
PNG
(3-[1-(2-phenylethyl)-5-(2-thienyl)-1H-pyrrol-2-yl]...)
Show SMILES OC(=O)CCc1ccc(-c2cccs2)n1CCc1ccccc1
Show InChI InChI=1S/C19H19NO2S/c21-19(22)11-9-16-8-10-17(18-7-4-14-23-18)20(16)13-12-15-5-2-1-3-6-15/h1-8,10,14H,9,11-13H2,(H,21,22)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 620n/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))
BDBM96663
PNG
(3-[1-(2-phenylethyl)-5-(2-thienyl)-1H-pyrrol-2-yl]...)
Show SMILES OC(=O)CCc1ccc(-c2cccs2)n1CCc1ccccc1
Show InChI InChI=1S/C19H19NO2S/c21-19(22)11-9-16-8-10-17(18-7-4-14-23-18)20(16)13-12-15-5-2-1-3-6-15/h1-8,10,14H,9,11-13H2,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.93E+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