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SMILES: ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1

InChI Key: InChIKey=NMOSUYKJZIGNFZ-UHFFFAOYSA-N

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 5 hits for monomerid = 50399675   
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))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
PDB
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Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
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Article
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair