BDBM87408 6-[5-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester::6-keto-6-[2-keto-5-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-4-imidazolin-4-yl]hexanoic acid ethyl ester::MLS000050819::SMR000078446::cid_2217921::ethyl 6-(5-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate::ethyl 6-[5-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate::ethyl 6-[5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate

SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1

InChI Key InChIKey=VYXKATGJKODPQR-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 87408   

TargetTyrosine-protein kinase ABL1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM87408(ethyl 6-(5-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimid...)
Affinity DataIC50: 192nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay