BDBM50392276 CHEMBL2153644

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)cc4cc3-[#6]-n1c2=O

InChI Key InChIKey=PJAIDMVOZWYNMM-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50392276   

TargetIntegrin alpha-V/beta-5(Human)
Sigma-Tau Industrie Farmaceutiche Riunite

Curated by ChEMBL
LigandPNGBDBM50392276(CHEMBL2153644)
Affinity DataIC50: 2.05nMAssay 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
LigandPNGBDBM50392276(CHEMBL2153644)
Affinity DataIC50: 2.28nMAssay 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-3(Human)
Sigma-Tau Industrie Farmaceutiche Riunite

Curated by ChEMBL
LigandPNGBDBM50392276(CHEMBL2153644)
Affinity DataIC50: 350nMAssay 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
TargetIntegrin alpha-V/beta-3(Human)
Sigma-Tau Industrie Farmaceutiche Riunite

Curated by ChEMBL
LigandPNGBDBM50392276(CHEMBL2153644)
Affinity DataIC50: 730nMAssay 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