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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA Ligase (MtuLigA) (Mycobacterium tuberculosis) | BDBM22983 (ethyl 3-[({3-[({1-[(3aR,6S,6aR)-6-(benzyloxy)-2,2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.77E+4 | n/a | n/a | n/a | n/a | 8.0 | 25 |
India Central Drug Research Institute | Assay 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... | J Biol Chem 280: 30273-81 (2005) Article DOI: 10.1074/jbc.M503780200 BindingDB Entry DOI: 10.7270/Q2SX6BGR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Ligase I (Homo sapiens (Human)) | BDBM22983 (ethyl 3-[({3-[({1-[(3aR,6S,6aR)-6-(benzyloxy)-2,2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.93E+5 | n/a | n/a | n/a | n/a | 8.0 | 25 |
India Central Drug Research Institute | Assay 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... | J Biol Chem 280: 30273-81 (2005) Article DOI: 10.1074/jbc.M503780200 BindingDB Entry DOI: 10.7270/Q2SX6BGR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bacteriophage T4 DNA Ligase (Bacteriophage T4) | BDBM22983 (ethyl 3-[({3-[({1-[(3aR,6S,6aR)-6-(benzyloxy)-2,2-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.39E+5 | n/a | n/a | n/a | n/a | 7.6 | 25 |
India Central Drug Research Institute | Assay 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... | J Biol Chem 280: 30273-81 (2005) Article DOI: 10.1074/jbc.M503780200 BindingDB Entry DOI: 10.7270/Q2SX6BGR | |||||||||||
More data for this Ligand-Target Pair |