BDBM50000804 13-[2-Amino-3-(4-hydroxy-3-nitro-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::CHEMBL412569

SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O

InChI Key InChIKey=OJUQGPYQUAXREA-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50000804   

TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50000804(CHEMBL412569 | 13-[2-Amino-3-(4-hydroxy-3-nitro-ph...)
Affinity DataIC50: 1.01E+3nMAssay Description:Compound was evaluated for its inhibitory potency against opioid receptor delta of Mouse vas deferensMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50000804(CHEMBL412569 | 13-[2-Amino-3-(4-hydroxy-3-nitro-ph...)
Affinity DataIC50: 9.00E+4nMAssay Description:Compound was evaluated for its inhibitory potency against opioid receptor delta of Guinea pig ileumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50000804(CHEMBL412569 | 13-[2-Amino-3-(4-hydroxy-3-nitro-ph...)
Affinity DataIC50: 5.21E+3nMAssay Description:Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (opioid receptor delta selective ligand)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50000804(CHEMBL412569 | 13-[2-Amino-3-(4-hydroxy-3-nitro-ph...)
Affinity DataIC50: 3.30E+3nMAssay Description:Compound was evaluated for its ability to displace [3H]- CTOP (opioid receptor mu selective ligand)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50000804(CHEMBL412569 | 13-[2-Amino-3-(4-hydroxy-3-nitro-ph...)
Affinity DataIC50: 720nMAssay Description:Compound was evaluated for the binding affinity in comparison with [3H][p-Cl-Phe4]-DPDPE (opioid receptor delta selective ligand)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed