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BDBM120958 US8716285, 15

SMILES: ONC(=O)c1ccc2CCC(Cc2c1)Nc1nccc(n1)-c1ccccc1Cl

InChI Key: InChIKey=QIBJLOFPNIEZGF-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 = 120958   
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))
BDBM120958
PNG
(US8716285, 15)
Show SMILES ONC(=O)c1ccc2CCC(Cc2c1)Nc1nccc(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H19ClN4O2/c22-18-4-2-1-3-17(18)19-9-10-23-21(25-19)24-16-8-7-13-5-6-14(20(27)26-28)11-15(13)12-16/h1-6,9-11,16,28H,7-8,12H2,(H,26,27)(H,23,24,25)
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 930n/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
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM120958
PNG
(US8716285, 15)
Show SMILES ONC(=O)c1ccc2CCC(Cc2c1)Nc1nccc(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H19ClN4O2/c22-18-4-2-1-3-17(18)19-9-10-23-21(25-19)24-16-8-7-13-5-6-14(20(27)26-28)11-15(13)12-16/h1-6,9-11,16,28H,7-8,12H2,(H,26,27)(H,23,24,25)
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 300n/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)

More data for this
Ligand-Target Pair