BDBM44685 6-[5-[[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester::6-[5-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester::MLS000050818::SMR000078445::cid_2217920::ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)thio]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate::ethyl 6-[5-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate::ethyl 6-[5-[(5-cyano-4-oxo-6-phenyl-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(-c2ccccc2)c(C#N)c(=O)[nH]1

InChI Key InChIKey=PVSZILJUJHCSJB-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44685   

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

Curated by PubChem BioAssay
LigandPNGBDBM44685(6-[5-[[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)...)
Affinity DataIC50:  1.45E+3nMAssay 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 DepthDetails PCBioAssay
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM44685(6-[5-[[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)...)
Affinity DataEC50:  6.57E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay