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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2b' and Ligand = 'BDBM50139933'   
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 2b


(Zea mays)
BDBM50139933
PNG
(5-(4-Benzoyl-1-methyl-1H-pyrrol-2-yl)-penta-2,4-di...)
Show SMILES Cn1cc(cc1\C=C\C=C\C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16N2O3/c1-19-12-14(17(21)13-7-3-2-4-8-13)11-15(19)9-5-6-10-16(20)18-22/h2-12,22H,1H3,(H,18,20)/b9-5+,10-6+
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 770n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50139933
PNG
(5-(4-Benzoyl-1-methyl-1H-pyrrol-2-yl)-penta-2,4-di...)
Show SMILES Cn1cc(cc1\C=C\C=C\C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16N2O3/c1-19-12-14(17(21)13-7-3-2-4-8-13)11-15(19)9-5-6-10-16(20)18-22/h2-12,22H,1H3,(H,18,20)/b9-5+,10-6+
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 776n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against histone deacetylase HD2 enzyme.


J Med Chem 47: 1098-109 (2004)

Checked by Author
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
More data for this
Ligand-Target Pair