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BDBM50232035 CHEMBL255805::N-(4-amino-biphenyl-3-yl)-nicotinamide::N-(4-aminobiphenyl-3-yl)nicotinamide

SMILES: Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1

InChI Key: InChIKey=RAJXTGVDLBIWMD-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50232035   
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 2


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 expressed in mammalian cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 expressed in mammalian cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in mammalian cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
BindingDB Entry DOI: 10.7270/Q2765G5S
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
KEGG

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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
BindingDB Entry DOI: 10.7270/Q2765G5S
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
BindingDB Entry DOI: 10.7270/Q2765G5S
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
BindingDB Entry DOI: 10.7270/Q2765G5S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
BindingDB Entry DOI: 10.7270/Q2765G5S
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
BindingDB Entry DOI: 10.7270/Q2765G5S
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50232035
PNG
(CHEMBL255805 | N-(4-amino-biphenyl-3-yl)-nicotinam...)
Show SMILES Nc1ccc(cc1NC(=O)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-16-9-8-14(13-5-2-1-3-6-13)11-17(16)21-18(22)15-7-4-10-20-12-15/h1-12H,19H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
BindingDB Entry DOI: 10.7270/Q2765G5S
More data for this
Ligand-Target Pair