BDBM71795 MLS000096701::N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]thio}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]acetamide::N-[[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]ethanamide::N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]acetamide::N-[[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]acetamide::N-[[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]acetamide::SMR000073945::cid_1313606

SMILES CCn1c(CNC(C)=O)nnc1SCC(=O)c1ccc(Br)cc1

InChI Key InChIKey=PKDRJWQRDQYOPT-UHFFFAOYSA-N

Data  1 EC50

  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 = 71795   

LigandChemical structure of BindingDB Monomer ID 71795BDBM71795(7-Acetyl-N-(5-((3-(2H3) methoxyazetidin-1-yl)carbo...)
Affinity DataIC50: 0.220nMpH: 7.5 T: 2°CAssay Description:A human acute lymphoblastic lymphoma T cell line MOLT-4 (which can be purchased under ATCC No. CRL-1582 from ATCC) was cultured in an RPMI1640 medium...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2017
Entry Details
US Patent