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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50239821   
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 1/2/3/6


(Homo sapiens (Human))
BDBM50239821
PNG
(CHEMBL4088198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC(C)(C)C
Show InChI InChI=1S/C21H34N4O4/c1-21(2,3)22-19(27)15-25(14-8-6-7-9-18(26)23-29)20(28)16-10-12-17(13-11-16)24(4)5/h10-13,29H,6-9,14-15H2,1-5H3,(H,22,27)(H,23,26)
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Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239821
PNG
(CHEMBL4088198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC(C)(C)C
Show InChI InChI=1S/C21H34N4O4/c1-21(2,3)22-19(27)15-25(14-8-6-7-9-18(26)23-29)20(28)16-10-12-17(13-11-16)24(4)5/h10-13,29H,6-9,14-15H2,1-5H3,(H,22,27)(H,23,26)
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Article
PubMed
n/an/a 1.97E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239821
PNG
(CHEMBL4088198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC(C)(C)C
Show InChI InChI=1S/C21H34N4O4/c1-21(2,3)22-19(27)15-25(14-8-6-7-9-18(26)23-29)20(28)16-10-12-17(13-11-16)24(4)5/h10-13,29H,6-9,14-15H2,1-5H3,(H,22,27)(H,23,26)
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Article
PubMed
n/an/a 2.06E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239821
PNG
(CHEMBL4088198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC(C)(C)C
Show InChI InChI=1S/C21H34N4O4/c1-21(2,3)22-19(27)15-25(14-8-6-7-9-18(26)23-29)20(28)16-10-12-17(13-11-16)24(4)5/h10-13,29H,6-9,14-15H2,1-5H3,(H,22,27)(H,23,26)
PDB

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Article
PubMed
n/an/a 2.49E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair