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BDBM50320524 (E)-N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(2-iminoethylideneamino)benzamide::CHEMBL1164671

SMILES: Nc1ccc(cc1NC(=O)c1ccc(cc1)\N=C\C=N)-c1cccs1

InChI Key: InChIKey=BSXYDTDHVOQHQJ-DSPHFGOZSA-N

Data: 5 IC50

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 5 hits for monomerid = 50320524   
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))
BDBM50320524
PNG
((E)-N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(2-imino...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)\N=C\C=N)-c1cccs1
Show InChI InChI=1S/C19H16N4OS/c20-9-10-22-15-6-3-13(4-7-15)19(24)23-17-12-14(5-8-16(17)21)18-2-1-11-25-18/h1-12,20H,21H2,(H,23,24)/b20-9?,22-10+
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8


Eur J Med Chem 45: 2095-116 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.030
BindingDB Entry DOI: 10.7270/Q2BR8SCS
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50320524
PNG
((E)-N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(2-imino...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)\N=C\C=N)-c1cccs1
Show InChI InChI=1S/C19H16N4OS/c20-9-10-22-15-6-3-13(4-7-15)19(24)23-17-12-14(5-8-16(17)21)18-2-1-11-25-18/h1-12,20H,21H2,(H,23,24)/b20-9?,22-10+
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6


Eur J Med Chem 45: 2095-116 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.030
BindingDB Entry DOI: 10.7270/Q2BR8SCS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50320524
PNG
((E)-N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(2-imino...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)\N=C\C=N)-c1cccs1
Show InChI InChI=1S/C19H16N4OS/c20-9-10-22-15-6-3-13(4-7-15)19(24)23-17-12-14(5-8-16(17)21)18-2-1-11-25-18/h1-12,20H,21H2,(H,23,24)/b20-9?,22-10+
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PubMed
n/an/a 60n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Eur J Med Chem 45: 2095-116 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.030
BindingDB Entry DOI: 10.7270/Q2BR8SCS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50320524
PNG
((E)-N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(2-imino...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)\N=C\C=N)-c1cccs1
Show InChI InChI=1S/C19H16N4OS/c20-9-10-22-15-6-3-13(4-7-15)19(24)23-17-12-14(5-8-16(17)21)18-2-1-11-25-18/h1-12,20H,21H2,(H,23,24)/b20-9?,22-10+
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n/an/a 20n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2


Eur J Med Chem 45: 2095-116 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.030
BindingDB Entry DOI: 10.7270/Q2BR8SCS
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50320524
PNG
((E)-N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(2-imino...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)\N=C\C=N)-c1cccs1
Show InChI InChI=1S/C19H16N4OS/c20-9-10-22-15-6-3-13(4-7-15)19(24)23-17-12-14(5-8-16(17)21)18-2-1-11-25-18/h1-12,20H,21H2,(H,23,24)/b20-9?,22-10+
PDB

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KEGG

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PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3


Eur J Med Chem 45: 2095-116 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.030
BindingDB Entry DOI: 10.7270/Q2BR8SCS
More data for this
Ligand-Target Pair