BDBM50340878 2-(7-(3-(3-((4R,7S,10S,13S,16R)-4-carbamoyl-7-(carboxymethyl)-13-(3-guanidinopropyl)-10-(4-hydroxybenzyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecan-16-ylamino)-3-oxopropyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trienyl)-3-(2-carboxyethyl)-1,1-dimethyl-1H-benzo[e]indolium::CHEMBL1761777

SMILES [#6]C1([#6])\[#6](=[#6]/[#6]=[#6]/[#6]=[#6]-[#6]=[#6]-[#6]2=[#7+](-[#6]-[#6]-[#6](=O)-[#7]-[#6@H]-3-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c4ccc(-[#8])cc4)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-3=O)-[#6](-[#7])=O)-c3ccc4ccccc4c3C2([#6])[#6])-[#7](-[#6]-[#6]-[#6](-[#8])=O)-c2ccc3ccccc3c12

InChI Key InChIKey=FKXWNDDDMMJIGJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340878   

TargetIntegrin alpha-V/beta-3(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM50340878(2-(7-(3-(3-((4R,7S,10S,13S,16R)-4-carbamoyl-7-(car...)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in human A549 cells by binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed