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SMILES: ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1

InChI Key: InChIKey=MLRJDCCBCWNZMV-CQSZACIVSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50255913   
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 2


(Homo sapiens (Human))
BDBM50255913
PNG
(CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...)
Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r|
Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.47E+3n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 2


Bioorg Med Chem Lett 19: 688-92 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50255913
PNG
(CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...)
Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r|
Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 8


Bioorg Med Chem Lett 19: 688-92 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50255913
PNG
(CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...)
Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r|
Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone deacetylase 6


Bioorg Med Chem Lett 19: 688-92 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S
More data for this
Ligand-Target Pair