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SMILES: Cc1ccc(cc1)C(N(CCCCCC(=O)NO)C(=O)c1ccccc1)C(=O)NC1CCCCC1

InChI Key: InChIKey=XEGNPGCNJFWYGJ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50239829   
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))
BDBM50239829
PNG
(CHEMBL4082736)
Show SMILES Cc1ccc(cc1)C(N(CCCCCC(=O)NO)C(=O)c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H37N3O4/c1-21-16-18-22(19-17-21)26(27(33)29-24-13-7-3-8-14-24)31(20-10-4-9-15-25(32)30-35)28(34)23-11-5-2-6-12-23/h2,5-6,11-12,16-19,24,26,35H,3-4,7-10,13-15,20H2,1H3,(H,29,33)(H,30,32)
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PC sid
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Article
PubMed
n/an/a 3.63E+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))
BDBM50239829
PNG
(CHEMBL4082736)
Show SMILES Cc1ccc(cc1)C(N(CCCCCC(=O)NO)C(=O)c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H37N3O4/c1-21-16-18-22(19-17-21)26(27(33)29-24-13-7-3-8-14-24)31(20-10-4-9-15-25(32)30-35)28(34)23-11-5-2-6-12-23/h2,5-6,11-12,16-19,24,26,35H,3-4,7-10,13-15,20H2,1H3,(H,29,33)(H,30,32)
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Article
PubMed
n/an/a 3.22E+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))
BDBM50239829
PNG
(CHEMBL4082736)
Show SMILES Cc1ccc(cc1)C(N(CCCCCC(=O)NO)C(=O)c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H37N3O4/c1-21-16-18-22(19-17-21)26(27(33)29-24-13-7-3-8-14-24)31(20-10-4-9-15-25(32)30-35)28(34)23-11-5-2-6-12-23/h2,5-6,11-12,16-19,24,26,35H,3-4,7-10,13-15,20H2,1H3,(H,29,33)(H,30,32)
PDB

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PC sid
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Article
PubMed
n/an/a 2.81E+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))
BDBM50239829
PNG
(CHEMBL4082736)
Show SMILES Cc1ccc(cc1)C(N(CCCCCC(=O)NO)C(=O)c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H37N3O4/c1-21-16-18-22(19-17-21)26(27(33)29-24-13-7-3-8-14-24)31(20-10-4-9-15-25(32)30-35)28(34)23-11-5-2-6-12-23/h2,5-6,11-12,16-19,24,26,35H,3-4,7-10,13-15,20H2,1H3,(H,29,33)(H,30,32)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.94E+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