BDBM50272772 10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-::10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-hydroxymethyl-propyl)-amide::2-{[(13R,16S,19R)-10-(4-Amino-butyl)-19-((S)-2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-amino}-3-hydroxy-butyric acid::CHEMBL1680::OCTREOTIDE

SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

InChI Key InChIKey=DEQANNDTNATYII-OULOTJBUSA-N

Data  8 KI  14 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50272772   

TargetSomatostatin receptor type 2(Homo sapiens (Human))
Northeast Louisiana University

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataKi:  0.300nMAssay Description:In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Northeast Louisiana University

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataKi:  0.570nMAssay Description:Binding affinity towards somatostatin receptor type 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Northeast Louisiana University

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataKi:  2.10nMAssay Description:Binding affinity to human SSTR2AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 5(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataKi:  6.80nMAssay Description:Binding affinity towards somatostatin receptor type 5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 3(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataKi:  26.8nMAssay Description:Binding affinity towards somatostatin receptor type 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 1(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataKi:  875nMAssay Description:Binding affinity towards somatostatin receptor type 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 4(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity towards somatostatin receptor type 4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 4(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataKi:  1.90E+3nMAssay Description:In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells using [125 I]Tyr11-SRIF-14 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 3(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  92.9nMAssay Description:Inhibitory concentration against human somatostatin receptor type 3 in CHO-K1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Northeast Louisiana University

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataEC50:  0.0300nMAssay Description:Agonist activity at human SSTR2 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins by Glo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 5(RAT)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  1nMAssay Description:Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 5(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  21.8nMAssay Description:Inhibitory concentration against human somatostatin receptor type 5 in CHO-K1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 5(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  0.770nMAssay Description:Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 3(MOUSE)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  3nMAssay Description:Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  9.34E+3nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 5(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  22nMAssay Description:Inhibition of human SSTR5 by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 4(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of human SSTR4 by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Northeast Louisiana University

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  0.0200nMAssay Description:Inhibitory concentration against human somatostatin receptor type 2 in CC531 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(MOUSE)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  0.280nMAssay Description:Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2bMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 4(Homo sapiens (Human))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50272772(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataIC50:  3nMAssay Description:Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed