new BindingDB logo
myBDB logout

BDBM120947 US8716285, 4

SMILES: ONC(=O)c1ccc2CCC(Cc2c1)Nc1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=VBBLVDIRGKUPNB-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 = 120947   
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))
BDBM120947
PNG
(US8716285, 4)
Show SMILES ONC(=O)c1ccc2CCC(Cc2c1)Nc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H16ClN3O2/c19-17-9-16(6-4-13(17)10-20)21-15-5-3-11-1-2-12(18(23)22-24)7-14(11)8-15/h1-2,4,6-7,9,15,21,24H,3,5,8H2,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 460n/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human A549 cells assessed as tubulin acetylation after 17 to 18 hrs by cytoblot assay


J Med Chem 57: 8026-34 (2014)


Article DOI: 10.1021/jm5008962
BindingDB Entry DOI: 10.7270/Q29C700V
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM120947
PNG
(US8716285, 4)
Show SMILES ONC(=O)c1ccc2CCC(Cc2c1)Nc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H16ClN3O2/c19-17-9-16(6-4-13(17)10-20)21-15-5-3-11-1-2-12(18(23)22-24)7-14(11)8-15/h1-2,4,6-7,9,15,21,24H,3,5,8H2,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.73E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit histone deacetylase 8 using an in vitro deacetylation assay. In a detailed procedure, 8 μl o...


US Patent US8716285 (2014)


BindingDB Entry DOI: 10.7270/Q2K072XG
More data for this
Ligand-Target Pair