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BDBM50026455 CHEMBL3335303

SMILES: COc1cccc(Cn2ccc(CCCCC(=O)NO)n2)c1

InChI Key: InChIKey=AXKQCNYGLRJNGN-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 = 50026455   
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))
BDBM50026455
PNG
(CHEMBL3335303)
Show SMILES COc1cccc(Cn2ccc(CCCCC(=O)NO)n2)c1
Show InChI InChI=1S/C16H21N3O3/c1-22-15-7-4-5-13(11-15)12-19-10-9-14(17-19)6-2-3-8-16(20)18-21/h4-5,7,9-11,21H,2-3,6,8,12H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 342n/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))
BDBM50026455
PNG
(CHEMBL3335303)
Show SMILES COc1cccc(Cn2ccc(CCCCC(=O)NO)n2)c1
Show InChI InChI=1S/C16H21N3O3/c1-22-15-7-4-5-13(11-15)12-19-10-9-14(17-19)6-2-3-8-16(20)18-21/h4-5,7,9-11,21H,2-3,6,8,12H2,1H3,(H,18,20)
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 311n/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