BDBM50175057 3-[(3S,6R,9R,15R,18S,21R,24R,30S,33R,36R,42R,45S,48R,51R)-18,45-bis(4-aminobutyl)-48-(2-carbamoylethyl)-3,6,15,30,33,42-hexakis(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::CHEMBL424754

SMILES NCCCC[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC1=O

InChI Key InChIKey=XYTWFMUYPXCVRU-ZSRRLVKDSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175057   

TargetActin, cytoplasmic 1(Xenopus laevis)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50175057(3-[(3S,6R,9R,15R,18S,21R,24R,30S,33R,36R,42R,45S,4...)
Affinity DataIC50:  300nMAssay Description:Inhibitory activity against actin assembly in xenopus by polymerisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed