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BDBM139330 US8614223, 108

SMILES: ONC(=O)c1cnc(NCc2ccccn2)nc1

InChI Key: InChIKey=MLNQXXLSVZJJMQ-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 = 139330   
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))
BDBM139330
PNG
(US8614223, 108)
Show SMILES ONC(=O)c1cnc(NCc2ccccn2)nc1
Show InChI InChI=1S/C11H11N5O2/c17-10(16-18)8-5-13-11(14-6-8)15-7-9-3-1-2-4-12-9/h1-6,18H,7H2,(H,16,17)(H,13,14,15)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 219n/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))
BDBM139330
PNG
(US8614223, 108)
Show SMILES ONC(=O)c1cnc(NCc2ccccn2)nc1
Show InChI InChI=1S/C11H11N5O2/c17-10(16-18)8-5-13-11(14-6-8)15-7-9-3-1-2-4-12-9/h1-6,18H,7H2,(H,16,17)(H,13,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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))
BDBM139330
PNG
(US8614223, 108)
Show SMILES ONC(=O)c1cnc(NCc2ccccn2)nc1
Show InChI InChI=1S/C11H11N5O2/c17-10(16-18)8-5-13-11(14-6-8)15-7-9-3-1-2-4-12-9/h1-6,18H,7H2,(H,16,17)(H,13,14,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 355n/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))
BDBM139330
PNG
(US8614223, 108)
Show SMILES ONC(=O)c1cnc(NCc2ccccn2)nc1
Show InChI InChI=1S/C11H11N5O2/c17-10(16-18)8-5-13-11(14-6-8)15-7-9-3-1-2-4-12-9/h1-6,18H,7H2,(H,16,17)(H,13,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 313n/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