BDBM87427 6-[5-(9-Allyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanylmethyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxo-hexanoic acid ethyl ester::6-[5-[[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester::6-oxo-6-[2-oxo-5-[[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-1,3-dihydroimidazol-4-yl]hexanoic acid ethyl ester::MLS000553812::SMR000171914::cid_2871530::ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate::ethyl 6-oxo-6-[2-oxo-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate

SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(CC=C)c2n1

InChI Key InChIKey=JFALAINVINKKTI-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87427   

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

Curated by PubChem BioAssay
LigandPNGBDBM87427(SMR000171914 | ethyl 6-oxidanylidene-6-[2-oxidanyl...)
Affinity DataIC50: 2.19E+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 Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay