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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type A' and Ligand = 'BDBM88706'   
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
Botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)		BDBM88706
PNG
(MLS002169358 | N-[2-(2-methoxyphenyl)-2-(1-pyrroli...)
Show SMILES COc1ccccc1C(CNC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1)N1CCCC1
Show InChI InChI=1S/C26H35N3O4S/c1-20-12-13-21(18-25(20)34(31,32)29-16-6-3-7-17-29)26(30)27-19-23(28-14-8-9-15-28)22-10-4-5-11-24(22)33-2/h4-5,10-13,18,23H,3,6-9,14-17,19H2,1-2H3,(H,27,30)
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PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...

PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair