BDBM50175056 3-[(3S,6R,9R,15R,18S,21R,24R,30S,33R,36R,42R,45S,48R,51R)-18,45-bis(4-aminobutyl)-48-(2-carbamoylethyl)-3,30-bis({3-[(diaminomethylidene)amino]propyl})-6,15,33,42-tetrakis(1H-indol-2-ylmethyl)-2,5,8,14,17,20,23,29,32,35,41,44,47,50-tetradecaoxo-1,4,7,13,16,19,22,28,31,34,40,43,46,49-tetradecaazapentacyclo[49.3.0.0^{9,13}.0^{24,28}.0^{36,40}]tetrapentacontan-21-yl]propanamide::CHEMBL219755

SMILES NCCCC[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCN=C(/N)N)NC(=O)[C@@H](Cc3cc4ccccc4[nH]3)NC(=O)[C@H]5CCCN5C(=O)[C@@H](Cc6cc7ccccc7[nH]6)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]8CCCN8C(=O)[C@H](CCCN=C(/N)N)NC(=O)[C@@H](Cc9cc%10ccccc%10[nH]9)NC(=O)[C@H]%11CCCN%11C(=O)[C@@H](Cc%12cc%13ccccc%13[nH]%12)NC1=O

InChI Key InChIKey=CZDSIXCHSGROMW-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 = 50175056   

TargetActin, cytoplasmic 1(African clawed frog)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50175056(3-[(3S,6R,9R,15R,18S,21R,24R,30S,33R,36R,42R,45S,4...)
Affinity DataIC50: 500nMAssay Description:Inhibitory activity against actin assembly in xenopus by polymerisation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed