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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'botulinum neurotoxin type F, BoNT/F' and Ligand = 'BDBM91544'   
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 F, BoNT/F


(Clostridium botulinum Bf)
BDBM91544
PNG
(1,3-diphenyl-5-(3,4,5-trimethoxyphenyl)-2-pyrazoli...)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H24N2O3/c1-27-22-14-18(15-23(28-2)24(22)29-3)21-16-20(17-10-6-4-7-11-17)25-26(21)19-12-8-5-9-13-19/h4-15,21H,16H2,1-3H3
PDB

UniProtKB/SwissProt

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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/Q22F7M0T
More data for this
Ligand-Target Pair