BDBM50318387 CHEMBL1099306

SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn4)cc(c3)C(=O)NCCOc3cc(OCCNC(=O)c4cc(OCc5cn(CCCCCC(=O)N[C@H](Cc6ccccc6)C(=O)N[C@H]6CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](Cc7ccc(O)cc7)NC6=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn5)cc(OCc5cn(CCCCCC(=O)N[C@H](Cc6ccccc6)C(=O)N[C@H]6CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](Cc7ccc(O)cc7)NC6=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn5)c4)cc(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=UHBKNMMOFHSNFW-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50318387   

TargetSomatostatin receptor type 2(Rat)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM50318387(CHEMBL1099306)
Affinity DataIC50: 14nMAssay 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