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BDBM50137831 8-Oxo-8-(6-phenyl-pyridin-3-yl)-octanoic acid (2-amino-phenyl)-amide::CHEMBL95792

SMILES: Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(nc1)-c1ccccc1

InChI Key: InChIKey=GJQLZDNOWYLODQ-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50137831   
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


(Homo sapiens (Human))
BDBM50137831
PNG
(8-Oxo-8-(6-phenyl-pyridin-3-yl)-octanoic acid (2-a...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C25H27N3O2/c26-21-12-8-9-13-23(21)28-25(30)15-7-2-1-6-14-24(29)20-16-17-22(27-18-20)19-10-4-3-5-11-19/h3-5,8-13,16-18H,1-2,6-7,14-15,26H2,(H,28,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Effect on induced hyperacetylation of histones in whole cells


Bioorg Med Chem Lett 14: 283-7 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50137831
PNG
(8-Oxo-8-(6-phenyl-pyridin-3-yl)-octanoic acid (2-a...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C25H27N3O2/c26-21-12-8-9-13-23(21)28-25(30)15-7-2-1-6-14-24(29)20-16-17-22(27-18-20)19-10-4-3-5-11-19/h3-5,8-13,16-18H,1-2,6-7,14-15,26H2,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair