BDBM79115 4-[[3-(4-chlorophenyl)-2-isoxazolin-5-yl]methyl]-N-heptyl-isonipecotamide::4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptyl-piperidine-4-carboxamide::4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptylpiperidine-4-carboxamide::4-[[3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-N-heptyl-4-piperidinecarboxamide::MLS001144009::SMR000718502::cid_24818153

SMILES CCCCCCCNC(=O)C1(CC2CC(=NO2)c2ccc(Cl)cc2)CCNCC1

InChI Key InChIKey=OYNKLJWZPHDEGJ-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 = 79115   

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

Curated by PubChem BioAssay
LigandPNGBDBM79115(MLS001144009 | SMR000718502 | 4-[[3-(4-chloropheny...)
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 Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDelta-type opioid receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79115(MLS001144009 | SMR000718502 | 4-[[3-(4-chloropheny...)
Affinity DataEC50: >6.46E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetMelanocortin receptor 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79115(MLS001144009 | SMR000718502 | 4-[[3-(4-chloropheny...)
Affinity DataEC50: >8.92E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay