BDBM50340880 2-(7-(3-(3-((3S,6R,11R,14S,19aS)-6-carbamoyl-3-(carboxymethyl)-14-(3-guanidinopropyl)-1,4,12,15-tetraoxohexadecahydro-1H-pyrrolo[2,1-j][1,2,5,8,11,14]dithiatetraazacycloheptadecin-11-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::CHEMBL1761775

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]-4-[#6]-[#6]-[#6]-[#7]-4-[#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=GNTSHRQIGPPODG-GANWNZNHSA-O

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340880   

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

Curated by ChEMBL
LigandPNGBDBM50340880(2-(7-(3-(3-((3S,6R,11R,14S,19aS)-6-carbamoyl-3-(ca...)
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 DepthDetails ArticlePubMed