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SMILES: COc1cccc(c1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)NCC(=O)NO

InChI Key: InChIKey=ZNNZLFUKMLGYQJ-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 4 hits for monomerid = 50292318   
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 4


(Homo sapiens (Human))
BDBM50292318
PNG
(CHEMBL4174925)
Show SMILES COc1cccc(c1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C21H23N5O7/c1-30-14-7-5-6-13(10-14)26-20(23-19(24-26)21(28)22-11-17(27)25-29)12-8-15(31-2)18(33-4)16(9-12)32-3/h5-10,29H,11H2,1-4H3,(H,22,28)(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 198n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 in human HeLa cells after 72 hrs by ELISA


Eur J Med Chem 146: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.021
BindingDB Entry DOI: 10.7270/Q2HD7Z6B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50292318
PNG
(CHEMBL4174925)
Show SMILES COc1cccc(c1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C21H23N5O7/c1-30-14-7-5-6-13(10-14)26-20(23-19(24-26)21(28)22-11-17(27)25-29)12-8-15(31-2)18(33-4)16(9-12)32-3/h5-10,29H,11H2,1-4H3,(H,22,28)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human HeLa cells after 72 hrs by ELISA


Eur J Med Chem 146: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.021
BindingDB Entry DOI: 10.7270/Q2HD7Z6B
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50292318
PNG
(CHEMBL4174925)
Show SMILES COc1cccc(c1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C21H23N5O7/c1-30-14-7-5-6-13(10-14)26-20(23-19(24-26)21(28)22-11-17(27)25-29)12-8-15(31-2)18(33-4)16(9-12)32-3/h5-10,29H,11H2,1-4H3,(H,22,28)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 263n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells after 72 hrs by ELISA


Eur J Med Chem 146: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.021
BindingDB Entry DOI: 10.7270/Q2HD7Z6B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50292318
PNG
(CHEMBL4174925)
Show SMILES COc1cccc(c1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C21H23N5O7/c1-30-14-7-5-6-13(10-14)26-20(23-19(24-26)21(28)22-11-17(27)25-29)12-8-15(31-2)18(33-4)16(9-12)32-3/h5-10,29H,11H2,1-4H3,(H,22,28)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human HeLa cells after 72 hrs by ELISA


Eur J Med Chem 146: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.021
BindingDB Entry DOI: 10.7270/Q2HD7Z6B
More data for this
Ligand-Target Pair