BDBM50507121 CHEMBL4589634
SMILES: COc1cc(CN2[C@H](Cc3ccccn3)C(=O)Nc3cc(Cl)ccc3C2=O)ccc1C(=O)Nc1ccc(cn1)C(F)(F)F
InChI Key: InChIKey=QWIAZRUSQPISGW-XMMPIXPASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Toxin B (Peptoclostridium difficile) | BDBM50507121![]() (CHEMBL4589634) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Venenum Biodesign Curated by ChEMBL | Assay Description Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro... | Bioorg Med Chem Lett 28: 3601-3605 (2018) Article DOI: 10.1016/j.bmcl.2018.10.047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Toxin B (Peptoclostridium difficile) | BDBM50507121![]() (CHEMBL4589634) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Venenum Biodesign Curated by ChEMBL | Assay Description Inhibition of Clostridium difficile toxin B transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before Tc... | Bioorg Med Chem Lett 28: 3601-3605 (2018) Article DOI: 10.1016/j.bmcl.2018.10.047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Toxin A (Peptoclostridium difficile) | BDBM50507121![]() (CHEMBL4589634) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Venenum Biodesign Curated by ChEMBL | Assay Description Inhibition of Clostridium difficile toxin A transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before Tc... | Bioorg Med Chem Lett 28: 3601-3605 (2018) Article DOI: 10.1016/j.bmcl.2018.10.047 | |||||||||||
More data for this Ligand-Target Pair |