BDBM50175059 3-[(3S,6R,9R,15R,18S,21R,24R,30S,33R,36R,42R,45S,48R,51R)-18,45-bis(4-aminobutyl)-6,33-dibenzyl-48-(2-carbamoylethyl)-15,42-bis(1H-indol-2-ylmethyl)-3,30-bis(2-methylpropyl)-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::CHEMBL428169

SMILES CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)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]2CCCN2C1=O

InChI Key InChIKey=VWXHXSGGYYPQQA-DLQHCIPZSA-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 = 50175059   

TargetActin, cytoplasmic 1(Xenopus laevis)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50175059(3-[(3S,6R,9R,15R,18S,21R,24R,30S,33R,36R,42R,45S,4...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibitory activity against actin assembly in xenopus by polymerisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed