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BDBM218218 US9249087, 57

SMILES: ONC(=O)c1ccc(CN2CCCC2)cc1

InChI Key: InChIKey=TVUYOXVAGPAARY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 218218   
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


(Homo sapiens (Human))
BDBM218218
PNG
(US9249087, 57)
Show SMILES ONC(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C12H16N2O2/c15-12(13-16)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,13,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90E+4n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM218218
PNG
(US9249087, 57)
Show SMILES ONC(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C12H16N2O2/c15-12(13-16)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,13,15)
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 1.20E+3n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM218218
PNG
(US9249087, 57)
Show SMILES ONC(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C12H16N2O2/c15-12(13-16)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,13,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 540n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair