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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50239817   
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))
BDBM50239817
PNG
(CHEMBL4066076)
Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H31N3O4/c25-19(23-28)14-8-3-9-15-24(21(27)17-10-4-1-5-11-17)16-20(26)22-18-12-6-2-7-13-18/h1,4-5,10-11,18,28H,2-3,6-9,12-16H2,(H,22,26)(H,23,25)
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Article
PubMed
n/an/a 1.08E+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))
BDBM50239817
PNG
(CHEMBL4066076)
Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H31N3O4/c25-19(23-28)14-8-3-9-15-24(21(27)17-10-4-1-5-11-17)16-20(26)22-18-12-6-2-7-13-18/h1,4-5,10-11,18,28H,2-3,6-9,12-16H2,(H,22,26)(H,23,25)
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PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


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))
BDBM50239817
PNG
(CHEMBL4066076)
Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H31N3O4/c25-19(23-28)14-8-3-9-15-24(21(27)17-10-4-1-5-11-17)16-20(26)22-18-12-6-2-7-13-18/h1,4-5,10-11,18,28H,2-3,6-9,12-16H2,(H,22,26)(H,23,25)
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PubMed
n/an/a 1.34E+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))
BDBM50239817
PNG
(CHEMBL4066076)
Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H31N3O4/c25-19(23-28)14-8-3-9-15-24(21(27)17-10-4-1-5-11-17)16-20(26)22-18-12-6-2-7-13-18/h1,4-5,10-11,18,28H,2-3,6-9,12-16H2,(H,22,26)(H,23,25)
PDB

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Article
PubMed
n/an/a 1.66E+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