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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 = 'BDBM88701'   
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...)		BDBM88701
PNG
(4-methoxy-N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl...)
Show SMILES COc1ccc(cc1)C(CNC(=O)c1ccc(OC)c(c1)S(=O)(=O)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C25H33N3O5S/c1-32-21-10-7-19(8-11-21)22(27-13-3-4-14-27)18-26-25(29)20-9-12-23(33-2)24(17-20)34(30,31)28-15-5-6-16-28/h7-12,17,22H,3-6,13-16,18H2,1-2H3,(H,26,29)
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PC cid
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