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BDBM88491 5-[2-[2-(4-mesylphenyl)-5-methoxy-benzothiophen-3-yl]ethynyl]-1-methyl-imidazole::5-[2-[5-methoxy-2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]ethynyl]-1-methyl-imidazole::5-[2-[5-methoxy-2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]ethynyl]-1-methylimidazole::MLS002473569::SMR001397736::cid_44202221

SMILES: COc1ccc2sc(c(C#Cc3cncn3C)c2c1)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=AAHMFTBCVJDHBJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 88491   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88491
PNG
(5-[2-[2-(4-mesylphenyl)-5-methoxy-benzothiophen-3-...)
Show SMILES COc1ccc2sc(c(C#Cc3cncn3C)c2c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H18N2O3S2/c1-24-14-23-13-16(24)6-10-19-20-12-17(27-2)7-11-21(20)28-22(19)15-4-8-18(9-5-15)29(3,25)26/h4-5,7-9,11-14H,1-3H3
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>8.92E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens]


(Homo sapiens (Human))
BDBM88491
PNG
(5-[2-[2-(4-mesylphenyl)-5-methoxy-benzothiophen-3-...)
Show SMILES COc1ccc2sc(c(C#Cc3cncn3C)c2c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H18N2O3S2/c1-24-14-23-13-16(24)6-10-19-20-12-17(27-2)7-11-21(20)28-22(19)15-4-8-18(9-5-15)29(3,25)26/h4-5,7-9,11-14H,1-3H3
PDB
MMDB

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PC cid
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n/an/an/an/a>1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM88491
PNG
(5-[2-[2-(4-mesylphenyl)-5-methoxy-benzothiophen-3-...)
Show SMILES COc1ccc2sc(c(C#Cc3cncn3C)c2c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H18N2O3S2/c1-24-14-23-13-16(24)6-10-19-20-12-17(27-2)7-11-21(20)28-22(19)15-4-8-18(9-5-15)29(3,25)26/h4-5,7-9,11-14H,1-3H3
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KK99CT
More data for this
Ligand-Target Pair