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BDBM50507122 CHEMBL4518654

SMILES: Cc1cccc(n1)C(=O)c1ccc(CN2[C@H](Cc3ccccn3)C(=O)Nc3cc(Cl)ccc3C2=O)cc1

InChI Key: InChIKey=KLASLMJAWUKRMD-AREMUKBSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50507122   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Toxin B


(Peptoclostridium difficile)		BDBM50507122
PNG
(CHEMBL4518654)
Show SMILES Cc1cccc(n1)C(=O)c1ccc(CN2[C@H](Cc3ccccn3)C(=O)Nc3cc(Cl)ccc3C2=O)cc1 |r|
Show InChI InChI=1S/C29H23ClN4O3/c1-18-5-4-7-24(32-18)27(35)20-10-8-19(9-11-20)17-34-26(16-22-6-2-3-14-31-22)28(36)33-25-15-21(30)12-13-23(25)29(34)37/h2-15,26H,16-17H2,1H3,(H,33,36)/t26-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/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