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1 similar compounds to monomer 31712

Compile data set for download or QSAR
Wt: 386.4
BDBM50304355

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50304355   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50304355
PNG
(3,4,6-trichloro-2-(2,5-dichloro-6-hydroxy-3-methyl...)
Show SMILES Cc1cc(Cl)c(O)c(Cc2c(O)c(Cl)cc(Cl)c2Cl)c1Cl
Show InChI InChI=1S/C14H9Cl5O2/c1-5-2-9(16)13(20)6(11(5)18)3-7-12(19)8(15)4-10(17)14(7)21/h2,4,20-21H,3H2,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of yeast Hst2 using NAD+ substrate


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50304355
PNG
(3,4,6-trichloro-2-(2,5-dichloro-6-hydroxy-3-methyl...)
Show SMILES Cc1cc(Cl)c(O)c(Cc2c(O)c(Cl)cc(Cl)c2Cl)c1Cl
Show InChI InChI=1S/C14H9Cl5O2/c1-5-2-9(16)13(20)6(11(5)18)3-7-12(19)8(15)4-10(17)14(7)21/h2,4,20-21H,3H2,1H3
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PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Mixed inhibition of yeast Hst2 using Acetyl-lysine substrate


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50304355
PNG
(3,4,6-trichloro-2-(2,5-dichloro-6-hydroxy-3-methyl...)
Show SMILES Cc1cc(Cl)c(O)c(Cc2c(O)c(Cl)cc(Cl)c2Cl)c1Cl
Show InChI InChI=1S/C14H9Cl5O2/c1-5-2-9(16)13(20)6(11(5)18)3-7-12(19)8(15)4-10(17)14(7)21/h2,4,20-21H,3H2,1H3
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n/an/a 3.40E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50304355
PNG
(3,4,6-trichloro-2-(2,5-dichloro-6-hydroxy-3-methyl...)
Show SMILES Cc1cc(Cl)c(O)c(Cc2c(O)c(Cl)cc(Cl)c2Cl)c1Cl
Show InChI InChI=1S/C14H9Cl5O2/c1-5-2-9(16)13(20)6(11(5)18)3-7-12(19)8(15)4-10(17)14(7)21/h2,4,20-21H,3H2,1H3
PDB
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Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of yeast Hst2 by fluorimetric assay


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair