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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 = 'BDBM88712'   
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...)
BDBM88712
PNG
(6-bromanyl-3-[(3-chlorophenyl)methyl]-5,7-dimethyl...)
Show SMILES Cc1ccc(cc1)-c1nc2cc(C)c(Br)c(C)n2c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H20BrClN2/c1-14-7-9-18(10-8-14)23-20(13-17-5-4-6-19(25)12-17)27-16(3)22(24)15(2)11-21(27)26-23/h4-12H,13H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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