BDBM50010532 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid (1-{[1-(1-ethylcarbamoyl-3-methyl-butylcarbamoyl)-4-guanidino-butyl]-methyl-carbamoyl}-4-guanidino-butyl)-amide::CHEMBL441939

SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1

InChI Key InChIKey=UQHCMUXJGZRDTC-ADYVUFBVSA-N

Data  3 KI  3 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 6 hits for monomerid = 50010532   

TargetMu-type opioid receptor(GUINEA PIG)
Eisai

Curated by ChEMBL
LigandPNGBDBM50010532(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi:  0.850nMAssay Description:Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50010532(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi:  1.60nMAssay Description:Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Mus musculus (Mouse))
Eisai

Curated by ChEMBL
LigandPNGBDBM50010532(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataKi:  3nMAssay Description:Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50010532(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataIC50:  0.0600nMAssay Description:Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
Eisai

Curated by ChEMBL
LigandPNGBDBM50010532(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataIC50:  0.130nMAssay Description:Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(GUINEA PIG)
Eisai

Curated by ChEMBL
LigandPNGBDBM50010532(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Affinity DataIC50:  0.00700nMAssay Description:Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed