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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50383528   
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
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50383528
PNG
(CHEMBL2032251)
Show SMILES ONC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C9H8ClNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-5+
PDB
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PC cid
PC sid
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Similars

n/an/a 54n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50383528
PNG
(CHEMBL2032251)
Show SMILES ONC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C9H8ClNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-5+
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50383528
PNG
(CHEMBL2032251)
Show SMILES ONC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C9H8ClNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-5+
PDB
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n/an/a 2.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


Citation and Details
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM50383528
PNG
(CHEMBL2032251)
Show SMILES ONC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C9H8ClNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-5+
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Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



Fox Chase Chemical Diversity Center

Curated by ChEMBL


Assay Description
Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis


Bioorg Med Chem Lett 22: 3754-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.019
BindingDB Entry DOI: 10.7270/Q21C1XWX
More data for this
Ligand-Target Pair