BDBM50390490 CHEMBL2071603

SMILES [#6]C1([#6])\[#6](=[#6]/[#6]=[#6]/[#6]=[#6]-[#6]=[#6]-[#6]2=[#7+](-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-3-[#7]-[#6](=O)-[#6@@H](-[#6]-c4ccccc4)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-3=O)-c3ccc4ccccc4c3C2([#6])[#6])-[#7](-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6@@H](-[#6]-c3ccccc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-c2ccc3ccccc3c12

InChI Key InChIKey=YXLLXCYQWYHDOI-VEVQCGDFSA-O

Data  1 KI  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 2 hits for monomerid = 50390490   

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

Curated by ChEMBL
LigandPNGBDBM50390490(CHEMBL2071603)
Affinity DataKi:  0.0430nMAssay Description:Displacement of [125I]-c(RGDyK) from human integrin alphavbeta3 after 16 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50390490(CHEMBL2071603)
Affinity DataIC50:  0.281nMAssay Description:Displacement of [125I]-c(RGDyK) from human integrin alphavbeta3 after 16 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed