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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 = 'BDBM91552'   
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)
BDBM91552
PNG
(2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydrop...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C17H14FN3S2/c1-11-10-23-17(19-11)21-15(12-4-6-13(18)7-5-12)9-14(20-21)16-3-2-8-22-16/h2-8,10,15H,9H2,1H3
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