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SMILES: Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1

InChI Key: InChIKey=BFKSCLUGYROMEJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50239823   
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))
BDBM50239823
PNG
(CHEMBL4098365)
Show SMILES Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C24H31N3O4/c1-17-8-10-21(11-9-17)25-23(29)16-27(12-6-4-5-7-22(28)26-31)24(30)20-14-18(2)13-19(3)15-20/h8-11,13-15,31H,4-7,12,16H2,1-3H3,(H,25,29)(H,26,28)
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PC sid
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Article
PubMed
n/an/a 810n/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))
BDBM50239823
PNG
(CHEMBL4098365)
Show SMILES Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C24H31N3O4/c1-17-8-10-21(11-9-17)25-23(29)16-27(12-6-4-5-7-22(28)26-31)24(30)20-14-18(2)13-19(3)15-20/h8-11,13-15,31H,4-7,12,16H2,1-3H3,(H,25,29)(H,26,28)
PDB

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PC sid
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Article
PubMed
n/an/a 950n/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))
BDBM50239823
PNG
(CHEMBL4098365)
Show SMILES Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C24H31N3O4/c1-17-8-10-21(11-9-17)25-23(29)16-27(12-6-4-5-7-22(28)26-31)24(30)20-14-18(2)13-19(3)15-20/h8-11,13-15,31H,4-7,12,16H2,1-3H3,(H,25,29)(H,26,28)
PDB

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antibodypedia
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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 800n/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))
BDBM50239823
PNG
(CHEMBL4098365)
Show SMILES Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C24H31N3O4/c1-17-8-10-21(11-9-17)25-23(29)16-27(12-6-4-5-7-22(28)26-31)24(30)20-14-18(2)13-19(3)15-20/h8-11,13-15,31H,4-7,12,16H2,1-3H3,(H,25,29)(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+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