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BDBM50026463 CHEMBL3335310

SMILES: ONC(=O)CCCCc1cn(Cc2ccccc2)nc1-c1ccccc1

InChI Key: InChIKey=SPFXHKSDULZPCX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50026463   
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))
BDBM50026463
PNG
(CHEMBL3335310)
Show SMILES ONC(=O)CCCCc1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-20(23-26)14-8-7-13-19-16-24(15-17-9-3-1-4-10-17)22-21(19)18-11-5-2-6-12-18/h1-6,9-12,16,26H,7-8,13-15H2,(H,23,25)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 202n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026463
PNG
(CHEMBL3335310)
Show SMILES ONC(=O)CCCCc1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-20(23-26)14-8-7-13-19-16-24(15-17-9-3-1-4-10-17)22-21(19)18-11-5-2-6-12-18/h1-6,9-12,16,26H,7-8,13-15H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 487n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair