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PubMed code 24035339

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 3


(Homo sapiens (Human))
BDBM50441497
PNG
(CHEMBL2436595)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2coc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H28N4O5S2/c1-12(2)17-19(27)30-13(6-4-5-7-31)8-15(26)22-9-16-23-14(10-29-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,31H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1
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Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using MAZ1600 and MAZ1675 as substrate assessed as fluorogenic release of 7-amino-4-methylcoumarin from substrat...


Bioorg Med Chem Lett 23: 6025-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.012
BindingDB Entry DOI: 10.7270/Q2Q241PQ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50441498
PNG
(CHEMBL2436596)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2coc(CNC(=O)C[C@H](OC1=O)\C=C\CCSSCC\C=C\[C@@H]1CC(=O)NCc3nc(co3)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1)n2 |r,c:11,t:50|
Show InChI InChI=1S/C42H54N8O10S4/c1-23(2)33-37(53)59-25(15-29(51)43-17-31-45-27(19-57-31)35-49-41(5,21-61-35)39(55)47-33)11-7-9-13-63-64-14-10-8-12-26-16-30(52)44-18-32-46-28(20-58-32)36-50-42(6,22-62-36)40(56)48-34(24(3)4)38(54)60-26/h7-8,11-12,19-20,23-26,33-34H,9-10,13-18,21-22H2,1-6H3,(H,43,51)(H,44,52)(H,47,55)(H,48,56)/b11-7+,12-8+/t25-,26-,33+,34+,41+,42+/m1/s1
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Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using MAZ1600 and MAZ1675 as substrate assessed as fluorogenic release of 7-amino-4-methylcoumarin from substrat...


Bioorg Med Chem Lett 23: 6025-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.012
BindingDB Entry DOI: 10.7270/Q2Q241PQ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using MAZ1600 and MAZ1675 as substrate assessed as fluorogenic release of 7-amino-4-methylcoumarin from substrat...


Bioorg Med Chem Lett 23: 6025-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.012
BindingDB Entry DOI: 10.7270/Q2Q241PQ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50441496
PNG
(CHEMBL2436594)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(co2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O6S2/c1-5-6-7-8-9-13-24(35)40-14-11-10-12-20-15-22(34)30-16-23-31-21(17-38-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)39-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using MAZ1600 and MAZ1675 as substrate assessed as fluorogenic release of 7-amino-4-methylcoumarin from substrat...


Bioorg Med Chem Lett 23: 6025-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.012
BindingDB Entry DOI: 10.7270/Q2Q241PQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%