BDBM22981 Glycosyl Ureides, 3a::ethyl 3-[(3aS,6R,6aS)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-3-{benzyl[(4-chlorophenyl)carbamoyl]amino}propanoate::glycosyl ureide-based inhibitor, 1

SMILES CCOC(=O)CC(C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1

InChI Key InChIKey=GYBYBJSCUCTPDL-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 22981   

TargetDNA ligase A(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
India Central Drug Research Institute

LigandPNGBDBM22981(Glycosyl Ureides, 3a | ethyl 3-[(3aS,6R,6aS)-6-(be...)
Affinity DataIC50: 9.65E+3nMpH: 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 Depth
Date in BDB:
6/29/2008
Entry Details Article
PubMed
TargetDNA ligase(Enterobacteria phage T4)
India Central Drug Research Institute

LigandPNGBDBM22981(Glycosyl Ureides, 3a | ethyl 3-[(3aS,6R,6aS)-6-(be...)
Affinity DataIC50: 6.30E+4nMpH: 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 Depth
Date in BDB:
6/29/2008
Entry Details Article
PubMed
TargetDNA ligase 1(Human)
India Central Drug Research Institute

LigandPNGBDBM22981(Glycosyl Ureides, 3a | ethyl 3-[(3aS,6R,6aS)-6-(be...)
Affinity DataIC50: 2.72E+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 Depth
Date in BDB:
6/29/2008
Entry Details Article
PubMed
TargetDNA ligase A(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
India Central Drug Research Institute

LigandPNGBDBM22981(Glycosyl Ureides, 3a | ethyl 3-[(3aS,6R,6aS)-6-(be...)
Affinity DataIC50: 9.65E+3nMAssay Description:All assays have been carried out using procedures previously described by our group (Srivastava et al., 2005a; 2005b; 2007)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2013
Entry Details Article