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BDBM139280 US8614223, 57

SMILES: ONC(=O)c1cnc(NCc2ccc(F)cc2C(F)(F)F)nc1

InChI Key: InChIKey=LPCPMORCWHFGDB-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 = 139280   
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))
BDBM139280
PNG
(US8614223, 57)
Show SMILES ONC(=O)c1cnc(NCc2ccc(F)cc2C(F)(F)F)nc1
Show InChI InChI=1S/C13H10F4N4O2/c14-9-2-1-7(10(3-9)13(15,16)17)4-18-12-19-5-8(6-20-12)11(22)21-23/h1-3,5-6,23H,4H2,(H,21,22)(H,18,19,20)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 526n/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))
BDBM139280
PNG
(US8614223, 57)
Show SMILES ONC(=O)c1cnc(NCc2ccc(F)cc2C(F)(F)F)nc1
Show InChI InChI=1S/C13H10F4N4O2/c14-9-2-1-7(10(3-9)13(15,16)17)4-18-12-19-5-8(6-20-12)11(22)21-23/h1-3,5-6,23H,4H2,(H,21,22)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/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))
BDBM139280
PNG
(US8614223, 57)
Show SMILES ONC(=O)c1cnc(NCc2ccc(F)cc2C(F)(F)F)nc1
Show InChI InChI=1S/C13H10F4N4O2/c14-9-2-1-7(10(3-9)13(15,16)17)4-18-12-19-5-8(6-20-12)11(22)21-23/h1-3,5-6,23H,4H2,(H,21,22)(H,18,19,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 901n/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))
BDBM139280
PNG
(US8614223, 57)
Show SMILES ONC(=O)c1cnc(NCc2ccc(F)cc2C(F)(F)F)nc1
Show InChI InChI=1S/C13H10F4N4O2/c14-9-2-1-7(10(3-9)13(15,16)17)4-18-12-19-5-8(6-20-12)11(22)21-23/h1-3,5-6,23H,4H2,(H,21,22)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 713n/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