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BDBM50137845 6-(5-Methyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid (2-amino-phenyl)-amide::CHEMBL97560

SMILES: Cc1ccc2C(=O)N(CCCCCC(=O)Nc3ccccc3N)C(=O)c2c1

InChI Key: InChIKey=JMPDTJFOVRXYNL-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 = 50137845   
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))
BDBM50137845
PNG
(6-(5-Methyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-h...)
Show SMILES Cc1ccc2C(=O)N(CCCCCC(=O)Nc3ccccc3N)C(=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-14-10-11-15-16(13-14)21(27)24(20(15)26)12-6-2-3-9-19(25)23-18-8-5-4-7-17(18)22/h4-5,7-8,10-11,13H,2-3,6,9,12,22H2,1H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
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 3.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50137845
PNG
(6-(5-Methyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-h...)
Show SMILES Cc1ccc2C(=O)N(CCCCCC(=O)Nc3ccccc3N)C(=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-14-10-11-15-16(13-14)21(27)24(20(15)26)12-6-2-3-9-19(25)23-18-8-5-4-7-17(18)22/h4-5,7-8,10-11,13H,2-3,6,9,12,22H2,1H3,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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