BDBM54809 (2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]propionic acid::(2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]propionic acid;hydrochloride::(2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]-1,2,3-triazol-4-yl]-5-piperazin-1-ylcarbonyl-phenyl]-1,2,3-triazol-1-yl]propanoic acid;hydrochloride::(2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]-4-triazolyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-1-triazolyl]propanoic acid;hydrochloride::(2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]propanoic acid;hydrochloride::LU-MONO-WY-DP::MLS000560608::SMR000327514::cid_16129550

SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N1CCNCC1

InChI Key InChIKey=XHYTYDLOOKTKLL-LQJZCPKCSA-N

Data  4 IC50  3 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 7 hits for monomerid = 54809   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54809((2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-in...)
Affinity DataIC50:  516nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54809((2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-in...)
Affinity DataIC50:  477nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54809((2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-in...)
Affinity DataIC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54809((2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-in...)
Affinity DataIC50:  1.28E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDelta-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54809((2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-in...)
Affinity DataEC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54809((2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-in...)
Affinity DataEC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMu-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54809((2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-in...)
Affinity DataEC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay