BDBM50001683 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::7-Benzyl-10-{[3-(4-hydroxy-phenyl)-pyrrolidine-2-carbonyl]-amino}-3,3-dimethyl-6,9-dioxo-1,2-dithia-5,8-diaza-cycloundecane-4-carboxylic acid::CHEMBL294616::DPDPE

SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O

InChI Key InChIKey=MCMMCRYPQBNCPH-DVKRWUGUSA-N

Data  46 KI  76 IC50  2 Kd  20 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 13 hits for monomerid = 50001683   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi: >350nMAssay Description:Binding affinity of the compound towards opioid receptor kappa 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi: >350nMAssay Description:Binding affinity of the compound towards opioid receptor kappa 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity against opioid receptor kappa from guinea pig brain homogenates, using [3H]U-69593 as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenatesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi: >1.00E+4nMAssay Description:In vitro potency was measured against human Opioid receptor kappa 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataIC50: >1.00E+3nMAssay Description:Tested for inhibitory concentration against [3H]U-69593 binding at sites of kappa-opioid receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataIC50:  2.10nMAssay Description:Tested for the binding affinity against the Kappa opioid receptor in guinea pig brain using [3H]U-69593More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataEC50: >1.00E+4nMAssay Description:Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed