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BDBM50139953 CHEMBL13152::N-Hydroxy-3-[1-methyl-4-(7-phenyl-heptanoyl)-1H-pyrrol-2-yl]-acrylamide

SMILES: Cn1cc(cc1C=CC(=O)NO)C(=O)CCCCCCc1ccccc1

InChI Key: InChIKey=WZNNDRSEZHZWDK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50139953   
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 HD2


(Zea mays)
BDBM50139953
PNG
(CHEMBL13152 | N-Hydroxy-3-[1-methyl-4-(7-phenyl-he...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCCCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C21H26N2O3/c1-23-16-18(15-19(23)13-14-21(25)22-26)20(24)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-16,26H,2-3,5,8-9,12H2,1H3,(H,22,25)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 266n/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 HD2


(Zea mays)
BDBM50139953
PNG
(CHEMBL13152 | N-Hydroxy-3-[1-methyl-4-(7-phenyl-he...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)CCCCCCc1ccccc1 |w:7.8|
Show InChI InChI=1S/C21H26N2O3/c1-23-16-18(15-19(23)13-14-21(25)22-26)20(24)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-16,26H,2-3,5,8-9,12H2,1H3,(H,22,25)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 263n/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