BDBM97372 US20130089624, 1

SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@@H]1COCCN1

InChI Key InChIKey=IXGKDJWUPZRAPM-UHFFFAOYSA-N

Data  1 KI  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 = 97372   

TargetSerine/threonine-protein kinase ATR(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM97372(US20130089624, 1)
Affinity DataKi:  0.503nM ΔG°:  -12.7kcal/mole IC50: 200nMpH: 7.5 T: 2°CAssay Description:Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 μM [γ-33P]...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2013
Entry Details
Go to US Patent