BDBM22983 ethyl 3-[({3-[({1-[(3aR,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxopropyl}carbamoyl)amino]phenyl}carbamoyl)amino]-3-[(3aS,6R,6aS)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]propanoate::glycosyl ureide-based inhibitor, 3

SMILES CCOC(=O)CC(NC(=O)Nc1cccc(NC(=O)NC(CC(=O)OCC)C2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OCc2ccccc2)c1)C1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1

InChI Key InChIKey=IDQVNEYJKAMANJ-AJPAFVNCSA-N

Data  3 IC50

  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 3 hits for monomerid = 22983   

TargetDNA ligase A(Mycobacterium tuberculosis)
India Central Drug Research Institute

LigandPNGBDBM22983(ethyl 3-[({3-[({1-[(3aR,6S,6aR)-6-(benzyloxy)-2,2-...)
Affinity DataIC50:  2.77E+4nMpH: 8.0 T: 2°CAssay Description:The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA ligase 1(Homo sapiens (Human))
India Central Drug Research Institute

LigandPNGBDBM22983(ethyl 3-[({3-[({1-[(3aR,6S,6aR)-6-(benzyloxy)-2,2-...)
Affinity DataIC50:  2.93E+5nMpH: 8.0 T: 2°CAssay Description:The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA ligase(Bacteriophage T4)
India Central Drug Research Institute

LigandPNGBDBM22983(ethyl 3-[({3-[({1-[(3aR,6S,6aR)-6-(benzyloxy)-2,2-...)
Affinity DataIC50:  2.39E+5nMpH: 7.6 T: 2°CAssay Description:The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed