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SMILES: Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12

InChI Key: InChIKey=FKOFCAHTEAXSJK-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 = 50464790   
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 8


(Homo sapiens (Human))
BDBM50464790
PNG
(CHEMBL4288953)
Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/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))
BDBM50464790
PNG
(CHEMBL4288953)
Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/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))
BDBM50464790
PNG
(CHEMBL4288953)
Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.75n/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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50464790
PNG
(CHEMBL4288953)
Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/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