BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toxin A' and Ligand = 'BDBM50507126'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Toxin A


(Peptoclostridium difficile)		BDBM50507126
PNG
(CHEMBL4483028)
Show SMILES Clc1ccc2c(NC(=O)[C@@H](Cc3ccccn3)N(Cc3ccc(cc3)C(=O)c3cccn4ccnc34)C2=O)c1 |r|
Show InChI InChI=1S/C30H22ClN5O3/c31-21-10-11-23-25(16-21)34-29(38)26(17-22-4-1-2-12-32-22)36(30(23)39)18-19-6-8-20(9-7-19)27(37)24-5-3-14-35-15-13-33-28(24)35/h1-16,26H,17-18H2,(H,34,38)/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/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
BindingDB Entry DOI: 10.7270/Q2KP85FQ
More data for this
Ligand-Target Pair