BDBM50392278 CHEMBL2153646

SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccc(-[#8]-[#6](=O)-[#7]-5-[#6]-[#6]-[#7](-[#6]-[#6]-5)-[#6](=O)-c5ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-6-[#6]-[#6]-[#7](-[#6]-[#6]-6)-c6cccc(c6)\[#7]=[#6]-6/[#7]-[#6]-[#6]-[#6]-[#7]-6)-[#6](-[#8])=O)cc5)c(-[#6]-[#7](-[#6])-[#6])c4cc3-[#6]-n1c2=O

InChI Key InChIKey=PQFLZAWKXDKTMD-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50392278   

TargetIntegrin alpha-V/beta-3(Human)
Sigma-Tau Industrie Farmaceutiche Riunite

Curated by ChEMBL
LigandPNGBDBM50392278(CHEMBL2153646)
Affinity DataIC50: 4.97nMAssay Description:Displacement of [125I]echistatin from integrin alpha5beta3 after 3 hrs by gamma counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-5(Human)
Sigma-Tau Industrie Farmaceutiche Riunite

Curated by ChEMBL
LigandPNGBDBM50392278(CHEMBL2153646)
Affinity DataIC50: 0.730nMAssay Description:Displacement of [125I]echistatin from integrin alpha5beta5 after 3 hrs by gamma counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-3(Human)
Sigma-Tau Industrie Farmaceutiche Riunite

Curated by ChEMBL
LigandPNGBDBM50392278(CHEMBL2153646)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of vitronectin binding to human alphaVbeta3 integrin over expressed in A2780 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-3(Human)
Sigma-Tau Industrie Farmaceutiche Riunite

Curated by ChEMBL
LigandPNGBDBM50392278(CHEMBL2153646)
Affinity DataIC50: 540nMAssay Description:Inhibition of vitronectin binding to human alphaVbeta3 integrin expressed in PC3 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed