BDBM50165180 4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydroxypropyl]carbamoyl}-19-[2-({[(4R)-4-{[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,3,5-trihydroxyoxan-2-yl]methyl}azaniumyl)-3-phenylpropanamido]-16-[(4-hydroxy-3-iodophenyl)methyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]butan-1-aminium::Radiolabeled octreotide derivative

SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O

InChI Key InChIKey=MGULBRZEATXHGH-UHFFFAOYSA-P

Data  5 IC50  1 EC50

  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 = 50165180   

TargetSomatostatin receptor type 2(Human)
Technische Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50165180(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)
Affinity DataIC50: 0.950nMAssay Description:In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetSomatostatin receptor type 3(Human)
Technische Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50165180(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)
Affinity DataIC50: 823nMAssay Description:In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetSomatostatin receptor type 2(Human)
Technische Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50165180(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)
Affinity DataEC50:  1.81nMAssay Description:Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetSomatostatin receptor type 5(Human)
Technische Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50165180(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)
Affinity DataIC50: 327nMAssay Description:In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetSomatostatin receptor type 1(Human)
Technische Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50165180(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)
Affinity DataIC50: 1.00E+4nMAssay Description:In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetSomatostatin receptor type 4(Human)
Technische Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50165180(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)
Affinity DataIC50: 823nMAssay Description:In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed