BDBM47101 2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]ethanamide::2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide::2-[(1-ethyl-2-keto-4-quinolyl)thio]-N-[3-[4-(2-fluorophenyl)piperazino]propyl]acetamide::2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide::2-[(1-ethyl-2-oxo-4-quinolinyl)thio]-N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]acetamide::MLS000092499::SMR000028049::cid_3242312

SMILES CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccccc2F)cc1=O

InChI Key InChIKey=AUNYTVRZCBFVRC-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 47101   

TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47101(2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
Target5-hydroxytryptamine receptor 2A(Mus musculus (Mouse))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47101(2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-...)
Affinity DataEC50:  7.61E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMu-type opioid receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47101(2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-...)
Affinity DataEC50:  9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay