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BDBM124190 US8748451, 5

SMILES: ONC(=O)c1ccc(Cn2c3ccccc3c3ccccc23)cc1

InChI Key: InChIKey=CASUOFRPUDPLQN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 124190   
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))
BDBM124190
PNG
(US8748451, 5)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2/c23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,24H,13H2,(H,21,23)
PDB
MMDB

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UniProtKB/TrEMBL

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PC sid
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Similars

US Patent
n/an/a 1.09E+4n/an/an/an/a8.025



The Board of Trustees of The University of Illinois

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 US8748451 (2014)


BindingDB Entry DOI: 10.7270/Q26D5RPK
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM124190
PNG
(US8748451, 5)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2/c23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,24H,13H2,(H,21,23)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19n/an/an/an/a8.025



The Board of Trustees of The University of Illinois

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 US8748451 (2014)


BindingDB Entry DOI: 10.7270/Q26D5RPK
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))
BDBM124190
PNG
(US8748451, 5)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2/c23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,24H,13H2,(H,21,23)
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Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



European Molecular Biology Laboratory

Curated by ChEMBL


Assay Description
Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter ...


J Med Chem 62: 4426-4443 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01936
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM124190
PNG
(US8748451, 5)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2/c23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,24H,13H2,(H,21,23)
PDB
MMDB

NCI pathway
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KEGG

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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



European Molecular Biology Laboratory

Curated by ChEMBL


Assay Description
Inhibition of dye-labeled tracer binding to HDAC6 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter g...


J Med Chem 62: 4426-4443 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01936
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))
BDBM124190
PNG
(US8748451, 5)
Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2/c23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,24H,13H2,(H,21,23)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



European Molecular Biology Laboratory

Curated by ChEMBL


Assay Description
Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC10 (unknown origin) measured after 1 hr by TR-FRET assay


J Med Chem 62: 4426-4443 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01936
More data for this
Ligand-Target Pair