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BDBM83403 MLS001172165::N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanyl-ethanamide::N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide::N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(o-tolylthio)acetamide::N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(2-methylphenyl)thio]acetamide::SMR000591785::cid_4883447

SMILES: COc1ccc(cc1)C(CNC(=O)CSc1ccccc1C)N(C)C

InChI Key: InChIKey=LZTIBBXIOUQBGU-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83403   
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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM83403
PNG
(MLS001172165 | N-[2-(dimethylamino)-2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)C(CNC(=O)CSc1ccccc1C)N(C)C
Show InChI InChI=1S/C20H26N2O2S/c1-15-7-5-6-8-19(15)25-14-20(23)21-13-18(22(2)3)16-9-11-17(24-4)12-10-16/h5-12,18H,13-14H2,1-4H3,(H,21,23)
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PC cid
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair