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BDBM50454533 CHEMBL4210773

SMILES: OC(=O)c1ccc(CN2[C@@H](Cc3ccccn3)C(=O)Nc3cc(Cl)ccc3C2=O)cc1

InChI Key: InChIKey=JSFGGWBJZGWYEV-FQEVSTJZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toxin B


(Peptoclostridium difficile)
BDBM50454533
PNG
(CHEMBL4210773)
Show SMILES OC(=O)c1ccc(CN2[C@@H](Cc3ccccn3)C(=O)Nc3cc(Cl)ccc3C2=O)cc1
Show InChI InChI=1S/C23H18ClN3O4/c24-16-8-9-18-19(11-16)26-21(28)20(12-17-3-1-2-10-25-17)27(22(18)29)13-14-4-6-15(7-5-14)23(30)31/h1-11,20H,12-13H2,(H,26,28)(H,30,31)/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Genesis Biotechnology Group

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B catalytic fragment (Met1 to Leu543 residues) assessed as reduction in...


Bioorg Med Chem Lett 28: 756-761 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.005
BindingDB Entry DOI: 10.7270/Q2QR50RG
More data for this
Ligand-Target Pair