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SMILES: CC(C)(C)NC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccccc1

InChI Key: InChIKey=KZYYVHBXAACCNT-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50239820   
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
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239820
PNG
(CHEMBL4068613)
Show SMILES CC(C)(C)NC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C19H29N3O4/c1-19(2,3)20-17(24)14-22(13-9-5-8-12-16(23)21-26)18(25)15-10-6-4-7-11-15/h4,6-7,10-11,26H,5,8-9,12-14H2,1-3H3,(H,20,24)(H,21,23)
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Article
PubMed
n/an/a 9.51E+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
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239820
PNG
(CHEMBL4068613)
Show SMILES CC(C)(C)NC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C19H29N3O4/c1-19(2,3)20-17(24)14-22(13-9-5-8-12-16(23)21-26)18(25)15-10-6-4-7-11-15/h4,6-7,10-11,26H,5,8-9,12-14H2,1-3H3,(H,20,24)(H,21,23)
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Article
PubMed
n/an/a 8.98E+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))
BDBM50239820
PNG
(CHEMBL4068613)
Show SMILES CC(C)(C)NC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C19H29N3O4/c1-19(2,3)20-17(24)14-22(13-9-5-8-12-16(23)21-26)18(25)15-10-6-4-7-11-15/h4,6-7,10-11,26H,5,8-9,12-14H2,1-3H3,(H,20,24)(H,21,23)
PDB

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Article
PubMed
n/an/a 6.85E+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))
BDBM50239820
PNG
(CHEMBL4068613)
Show SMILES CC(C)(C)NC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C19H29N3O4/c1-19(2,3)20-17(24)14-22(13-9-5-8-12-16(23)21-26)18(25)15-10-6-4-7-11-15/h4,6-7,10-11,26H,5,8-9,12-14H2,1-3H3,(H,20,24)(H,21,23)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.59E+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