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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 = 'BDBM74437'   
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...)		BDBM74437
PNG
(5-bromo-3-pyridinecarboxylic acid [2-(1-adamantyla...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)COC(=O)c1cncc(Br)c1 |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|
Show InChI InChI=1S/C18H21BrN2O3/c19-15-4-14(8-20-9-15)17(23)24-10-16(22)21-18-5-11-1-12(6-18)3-13(2-11)7-18/h4,8-9,11-13H,1-3,5-7,10H2,(H,21,22)
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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