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BDBM50475562 CHEMBL383285

SMILES: CN(C)c1ccc(Sc2cccc(\C=C\C(=O)NO)c2)cc1

InChI Key: InChIKey=WEDWHUFALBXZHA-IZZDOVSWSA-N

Data: 2 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 2 hits for monomerid = 50475562   
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 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50475562
PNG
(CHEMBL383285)
Show SMILES CN(C)c1ccc(Sc2cccc(\C=C\C(=O)NO)c2)cc1
Show InChI InChI=1S/C17H18N2O2S/c1-19(2)14-7-9-15(10-8-14)22-16-5-3-4-13(12-16)6-11-17(20)18-21/h3-12,21H,1-2H3,(H,18,20)/b11-6+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human leukemic CEM cells


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475562
PNG
(CHEMBL383285)
Show SMILES CN(C)c1ccc(Sc2cccc(\C=C\C(=O)NO)c2)cc1
Show InChI InChI=1S/C17H18N2O2S/c1-19(2)14-7-9-15(10-8-14)22-16-5-3-4-13(12-16)6-11-17(20)18-21/h3-12,21H,1-2H3,(H,18,20)/b11-6+
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair