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SMILES: COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12

InChI Key: InChIKey=XVLFDROZMUKWLL-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50464793   
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))
BDBM50464793
PNG
(CHEMBL4278715)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C28H26N4O5/c1-35-22-12-18(13-23(36-2)27(22)37-3)25-26-20(19-6-4-5-7-21(19)30-26)14-24(31-25)29-15-16-8-10-17(11-9-16)28(33)32-34/h4-14,30,34H,15H2,1-3H3,(H,29,31)(H,32,33)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.930n/an/an/an/an/an/a



Nantong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 144: 398-409 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.061
BindingDB Entry DOI: 10.7270/Q20004R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50464793
PNG
(CHEMBL4278715)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C28H26N4O5/c1-35-22-12-18(13-23(36-2)27(22)37-3)25-26-20(19-6-4-5-7-21(19)30-26)14-24(31-25)29-15-16-8-10-17(11-9-16)28(33)32-34/h4-14,30,34H,15H2,1-3H3,(H,29,31)(H,32,33)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 875n/an/an/an/an/an/a



Nantong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin)


Eur J Med Chem 144: 398-409 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.061
BindingDB Entry DOI: 10.7270/Q20004R4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50464793
PNG
(CHEMBL4278715)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C28H26N4O5/c1-35-22-12-18(13-23(36-2)27(22)37-3)25-26-20(19-6-4-5-7-21(19)30-26)14-24(31-25)29-15-16-8-10-17(11-9-16)28(33)32-34/h4-14,30,34H,15H2,1-3H3,(H,29,31)(H,32,33)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Nantong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 144: 398-409 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.061
BindingDB Entry DOI: 10.7270/Q20004R4
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50464793
PNG
(CHEMBL4278715)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C28H26N4O5/c1-35-22-12-18(13-23(36-2)27(22)37-3)25-26-20(19-6-4-5-7-21(19)30-26)14-24(31-25)29-15-16-8-10-17(11-9-16)28(33)32-34/h4-14,30,34H,15H2,1-3H3,(H,29,31)(H,32,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Nantong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 144: 398-409 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.061
BindingDB Entry DOI: 10.7270/Q20004R4
More data for this
Ligand-Target Pair