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BDBM50216515 3-(2-benzyl-3-oxoisoindolin-5-yl)-N-hydroxyacrylamide::CHEMBL247217

SMILES: ONC(=O)\C=C\c1ccc2CN(Cc3ccccc3)C(=O)c2c1

InChI Key: InChIKey=HQKPXSLXHXNAIC-VQHVLOKHSA-N

Data: 3 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 3 hits for monomerid = 50216515   
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 4


(Homo sapiens (Human))
BDBM50216515
PNG
(3-(2-benzyl-3-oxoisoindolin-5-yl)-N-hydroxyacrylam...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C18H16N2O3/c21-17(19-23)9-7-13-6-8-15-12-20(18(22)16(15)10-13)11-14-4-2-1-3-5-14/h1-10,23H,11-12H2,(H,19,21)/b9-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216515
PNG
(3-(2-benzyl-3-oxoisoindolin-5-yl)-N-hydroxyacrylam...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C18H16N2O3/c21-17(19-23)9-7-13-6-8-15-12-20(18(22)16(15)10-13)11-14-4-2-1-3-5-14/h1-10,23H,11-12H2,(H,19,21)/b9-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50216515
PNG
(3-(2-benzyl-3-oxoisoindolin-5-yl)-N-hydroxyacrylam...)
Show SMILES ONC(=O)\C=C\c1ccc2CN(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C18H16N2O3/c21-17(19-23)9-7-13-6-8-15-12-20(18(22)16(15)10-13)11-14-4-2-1-3-5-14/h1-10,23H,11-12H2,(H,19,21)/b9-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair