new BindingDB logo
myBDB logout

BDBM50232053 CHEMBL271741::N-(4-amino-biphenyl-3-yl)-benzamide::N-(4-aminobiphenyl-3-yl)benzamide

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

InChI Key: InChIKey=ZWLFHHHQRUYIBT-UHFFFAOYSA-N

Data: 16 IC50

PDB links: 1 PDB ID matches this monomer.

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 16 hits for monomerid = 50232053   
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))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 preincubated for 24 hrs followed by 1 hr reaction with substrate by protease coupled end-point assay


Bioorg Med Chem Lett 20: 3142-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.091
BindingDB Entry DOI: 10.7270/Q2HX1CT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
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
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
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
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


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 6


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
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))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 60n/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
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


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
3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
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 5


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
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 7


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
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 1


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 preincubated for 1 hr with substrate by protease coupled end-point assay


Bioorg Med Chem Lett 20: 3142-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.091
BindingDB Entry DOI: 10.7270/Q2HX1CT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)