BDBM79297 MLS002232293::N-[4-[methyl-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]phenyl]-2-propenamide::N-[4-[methyl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide::N-[4-[methyl-[2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]phenyl]acrylamide::N-[4-[methyl-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide::SMR001307847::cid_42601357

SMILES CN(c1ccc(NC(=O)C=C)cc1)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1

InChI Key InChIKey=KXUMQIXBDPODJD-UHFFFAOYSA-N

Data  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 = 79297   

TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM79297(SMR001307847 | cid_42601357 | MLS002232293 | N-[4-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay