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BDBM139317 US8614223, 95

SMILES: ONC(=O)c1cnc(NC2(CCOCC2)c2ccccc2)nc1

InChI Key: InChIKey=DSQYPKWZMVLLOH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 139317   
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))
BDBM139317
PNG
(US8614223, 95)
Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2ccccc2)nc1
Show InChI InChI=1S/C16H18N4O3/c21-14(20-22)12-10-17-15(18-11-12)19-16(6-8-23-9-7-16)13-4-2-1-3-5-13/h1-5,10-11,22H,6-9H2,(H,20,21)(H,17,18,19)
PDB
MMDB

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Similars

US Patent
n/an/a 586n/an/an/an/a7.425



Acetylon Pharmaceuticals Inc

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8614223 (2013)


BindingDB Entry DOI: 10.7270/Q2B27T00
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM139317
PNG
(US8614223, 95)
Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2ccccc2)nc1
Show InChI InChI=1S/C16H18N4O3/c21-14(20-22)12-10-17-15(18-11-12)19-16(6-8-23-9-7-16)13-4-2-1-3-5-13/h1-5,10-11,22H,6-9H2,(H,20,21)(H,17,18,19)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/a7.425



Acetylon Pharmaceuticals Inc

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8614223 (2013)


BindingDB Entry DOI: 10.7270/Q2B27T00
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM139317
PNG
(US8614223, 95)
Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2ccccc2)nc1
Show InChI InChI=1S/C16H18N4O3/c21-14(20-22)12-10-17-15(18-11-12)19-16(6-8-23-9-7-16)13-4-2-1-3-5-13/h1-5,10-11,22H,6-9H2,(H,20,21)(H,17,18,19)
PDB

NCI pathway
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antibodypedia
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Similars

US Patent
n/an/a 2.27E+3n/an/an/an/a7.425



Acetylon Pharmaceuticals Inc

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8614223 (2013)


BindingDB Entry DOI: 10.7270/Q2B27T00
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM139317
PNG
(US8614223, 95)
Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2ccccc2)nc1
Show InChI InChI=1S/C16H18N4O3/c21-14(20-22)12-10-17-15(18-11-12)19-16(6-8-23-9-7-16)13-4-2-1-3-5-13/h1-5,10-11,22H,6-9H2,(H,20,21)(H,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 722n/an/an/an/a7.425



Acetylon Pharmaceuticals Inc

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8614223 (2013)


BindingDB Entry DOI: 10.7270/Q2B27T00
More data for this
Ligand-Target Pair