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BDBM50189881 CHEMBL3827632

SMILES: OC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)Nc1ccc-2c(Cc3cc(Cl)cc(Cl)c-23)c1

InChI Key: InChIKey=GZDLWFSZTBRVDP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50189881   
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
Botulinum neurotoxin type E


(Clostridium botulinum)		BDBM50189881
PNG
(CHEMBL3827632)
Show SMILES OC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)Nc1ccc-2c(Cc3cc(Cl)cc(Cl)c-23)c1
Show InChI InChI=1S/C27H15Cl4NO3/c28-15-1-4-20(21-5-2-16(29)11-23(21)27(34)35)22(10-15)26(33)32-18-3-6-19-13(9-18)7-14-8-17(30)12-24(31)25(14)19/h1-6,8-12H,7H2,(H,32,33)(H,34,35)
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Brookhaven National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysis

Bioorg Med Chem 24: 3978-3985 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V28
More data for this
Ligand-Target Pair