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BDBM50312625 CHEMBL1087053::N1-(2-aminophenyl)-N8-(3-(4-phenyl-1H-1,2,3-triazol-1-yl)phenyl)octanediamide

SMILES: Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1

InChI Key: InChIKey=OWCOYDWONSDUKN-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50312625   
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))
BDBM50312625
PNG
(CHEMBL1087053 | N1-(2-aminophenyl)-N8-(3-(4-phenyl...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C28H30N6O2/c29-24-15-8-9-16-25(24)31-28(36)18-7-2-1-6-17-27(35)30-22-13-10-14-23(19-22)34-20-26(32-33-34)21-11-4-3-5-12-21/h3-5,8-16,19-20H,1-2,6-7,17-18,29H2,(H,30,35)(H,31,36)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50312625
PNG
(CHEMBL1087053 | N1-(2-aminophenyl)-N8-(3-(4-phenyl...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C28H30N6O2/c29-24-15-8-9-16-25(24)31-28(36)18-7-2-1-6-17-27(35)30-22-13-10-14-23(19-22)34-20-26(32-33-34)21-11-4-3-5-12-21/h3-5,8-16,19-20H,1-2,6-7,17-18,29H2,(H,30,35)(H,31,36)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312625
PNG
(CHEMBL1087053 | N1-(2-aminophenyl)-N8-(3-(4-phenyl...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C28H30N6O2/c29-24-15-8-9-16-25(24)31-28(36)18-7-2-1-6-17-27(35)30-22-13-10-14-23(19-22)34-20-26(32-33-34)21-11-4-3-5-12-21/h3-5,8-16,19-20H,1-2,6-7,17-18,29H2,(H,30,35)(H,31,36)
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n/an/a 122n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50312625
PNG
(CHEMBL1087053 | N1-(2-aminophenyl)-N8-(3-(4-phenyl...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C28H30N6O2/c29-24-15-8-9-16-25(24)31-28(36)18-7-2-1-6-17-27(35)30-22-13-10-14-23(19-22)34-20-26(32-33-34)21-11-4-3-5-12-21/h3-5,8-16,19-20H,1-2,6-7,17-18,29H2,(H,30,35)(H,31,36)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312625
PNG
(CHEMBL1087053 | N1-(2-aminophenyl)-N8-(3-(4-phenyl...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C28H30N6O2/c29-24-15-8-9-16-25(24)31-28(36)18-7-2-1-6-17-27(35)30-22-13-10-14-23(19-22)34-20-26(32-33-34)21-11-4-3-5-12-21/h3-5,8-16,19-20H,1-2,6-7,17-18,29H2,(H,30,35)(H,31,36)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50312625
PNG
(CHEMBL1087053 | N1-(2-aminophenyl)-N8-(3-(4-phenyl...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C28H30N6O2/c29-24-15-8-9-16-25(24)31-28(36)18-7-2-1-6-17-27(35)30-22-13-10-14-23(19-22)34-20-26(32-33-34)21-11-4-3-5-12-21/h3-5,8-16,19-20H,1-2,6-7,17-18,29H2,(H,30,35)(H,31,36)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair