BindingDB logo
myBDB logout

null

SMILES: ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1

InChI Key: InChIKey=AIOBOFRJLHUCLQ-UHFFFAOYSA-N

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 5 hits for monomerid = 50399673   
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 6


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair