BDBM50318385 2-(4-{[(2-{[(3-{[1-(5-{[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}pentyl)-1H-1,2,3-triazol-4-yl]methoxy}phenyl)methane]sulfonyl}ethyl)carbamoyl]methyl}-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid::CHEMBL1099304

SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cccc(c3)C(=O)NS(=O)(=O)CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)nn2)C(=O)N[C@@H](Cc2ccc(O)cc2)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=WKAZZHJGDKTRMN-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50318385   

TargetSomatostatin receptor type 2(Rat)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM50318385(2-(4-{[(2-{[(3-{[1-(5-{[(1R)-1-{[(4R,7S,10S,13R,16...)
Affinity DataIC50: 1.32nMAssay Description:Displacement of [111In]DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed