new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'kalita' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123975
PNG
(3-[4-(biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232653
PNG
(CHEMBL403467 | N-(2-aminophenyl)-4-((6-methoxybenz...)
Show SMILES COc1ccc2nc(NCc3ccc(cc3)C(=O)Nc3ccccc3N)sc2c1
Show InChI InChI=1S/C22H20N4O2S/c1-28-16-10-11-19-20(12-16)29-22(26-19)24-13-14-6-8-15(9-7-14)21(27)25-18-5-3-2-4-17(18)23/h2-12H,13,23H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373681
PNG
(CHEMBL257631)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(NC3CC3)nc(NC3Cc4ccccc4C3)n2)cc1
Show InChI InChI=1S/C29H30N8O/c30-24-7-3-4-8-25(24)34-26(38)19-11-9-18(10-12-19)17-31-27-35-28(32-22-13-14-22)37-29(36-27)33-23-15-20-5-1-2-6-21(20)16-23/h1-12,22-23H,13-17,30H2,(H,34,38)(H3,31,32,33,35,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123967
PNG
(3-[4-(Biphenyl-4-ylsulfamoyl)-phenyl]-N-hydroxy-ac...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-13-20(14-7-16)28(26,27)23-19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123955
PNG
(3-[4-(Dibenzofuran-1-sulfonylamino)-phenyl]-N-hydr...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C21H16N2O5S/c24-20(22-25)13-10-14-8-11-15(12-9-14)23-29(26,27)19-7-3-6-18-21(19)16-4-1-2-5-17(16)28-18/h1-13,23,25H,(H,22,24)/b13-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373683
PNG
(CHEMBL257835)
Show SMILES Nc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(n1)N1Cc2ccccc2C1
Show InChI InChI=1S/C25H24N8O/c26-20-7-3-4-8-21(20)29-22(34)17-11-9-16(10-12-17)13-28-24-30-23(27)31-25(32-24)33-14-18-5-1-2-6-19(18)15-33/h1-12H,13-15,26H2,(H,29,34)(H3,27,28,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123970
PNG
(CHEMBL168961 | N-Hydroxy-3-[4-(naphthalene-1-sulfo...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O4S/c22-19(20-23)13-10-14-8-11-16(12-9-14)21-26(24,25)18-7-3-5-15-4-1-2-6-17(15)18/h1-13,21,23H,(H,20,22)/b13-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232646
PNG
(CHEMBL254112 | N-(2-aminophenyl)-4-((6-bromobenzo[...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc(Br)cc3s2)cc1
Show InChI InChI=1S/C21H17BrN4OS/c22-15-9-10-18-19(11-15)28-21(26-18)24-12-13-5-7-14(8-6-13)20(27)25-17-4-2-1-3-16(17)23/h1-11H,12,23H2,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373686
PNG
(CHEMBL404332)
Show SMILES CCCCn1cnc2c(NCc3ccc(cc3)C(=O)Nc3ccccc3N)nc(Cl)nc12
Show InChI InChI=1S/C23H24ClN7O/c1-2-3-12-31-14-27-19-20(29-23(24)30-21(19)31)26-13-15-8-10-16(11-9-15)22(32)28-18-7-5-4-6-17(18)25/h4-11,14H,2-3,12-13,25H2,1H3,(H,28,32)(H,26,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373689
PNG
(CHEMBL271862)
Show SMILES COc1ccc(cc1OC)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C26H25N5O3/c1-33-23-12-11-19(15-24(23)34-2)21-13-14-28-26(31-21)29-16-17-7-9-18(10-8-17)25(32)30-22-6-4-3-5-20(22)27/h3-15H,16,27H2,1-2H3,(H,30,32)(H,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255261
PNG
(CHEMBL479278 | N-(2-aminophenyl)-4-((4-(6-morpholi...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(nc2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H27N7O2/c28-22-3-1-2-4-24(22)32-26(35)20-7-5-19(6-8-20)17-31-27-29-12-11-23(33-27)21-9-10-25(30-18-21)34-13-15-36-16-14-34/h1-12,18H,13-17,28H2,(H,32,35)(H,29,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123958
PNG
(3-[4-(3,4-Dimethoxy-phenylsulfamoyl)-phenyl]-N-hyd...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1OC
Show InChI InChI=1S/C17H18N2O6S/c1-24-15-9-6-13(11-16(15)25-2)19-26(22,23)14-7-3-12(4-8-14)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50105678
PNG
((E)-N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18-13-5-2-12(3-6-13)4-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-4+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232650
PNG
(CHEMBL254519 | N-(2-aminophenyl)-4-((6-(2-morpholi...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3s2)cc1
Show InChI InChI=1S/C27H29N5O3S/c28-22-3-1-2-4-23(22)30-26(33)20-7-5-19(6-8-20)18-29-27-31-24-10-9-21(17-25(24)36-27)35-16-13-32-11-14-34-15-12-32/h1-10,17H,11-16,18,28H2,(H,29,31)(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232658
PNG
(CHEMBL254311 | N-(2-aminophenyl)-4-((6-(2-morpholi...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCCN4CCOCC4)cc3s2)cc1
Show InChI InChI=1S/C27H29N5O2S2/c28-22-3-1-2-4-23(22)30-26(33)20-7-5-19(6-8-20)18-35-27-31-24-10-9-21(17-25(24)36-27)29-11-12-32-13-15-34-16-14-32/h1-10,17,29H,11-16,18,28H2,(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232656
PNG
(CHEMBL403465 | N-(2-aminophenyl)-4-((5-phenyl-1H-p...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cc(n[nH]2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H21N5O/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)15-25-22-14-21(27-28-22)17-6-2-1-3-7-17/h1-14H,15,24H2,(H,26,29)(H2,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232649
PNG
(CHEMBL254310 | N-(2-aminophenyl)-4-((6-(pyridin-2-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCc4ccccn4)cc3s2)cc1
Show InChI InChI=1S/C27H23N5OS2/c28-22-6-1-2-7-23(22)31-26(33)19-10-8-18(9-11-19)17-34-27-32-24-13-12-20(15-25(24)35-27)30-16-21-5-3-4-14-29-21/h1-15,30H,16-17,28H2,(H,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373680
PNG
(CHEMBL401751)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(NCCN3CCOCC3)nc(NC3Cc4ccccc4C3)n2)cc1
Show InChI InChI=1S/C32H37N9O2/c33-27-7-3-4-8-28(27)37-29(42)23-11-9-22(10-12-23)21-35-31-38-30(34-13-14-41-15-17-43-18-16-41)39-32(40-31)36-26-19-24-5-1-2-6-25(24)20-26/h1-12,26H,13-21,33H2,(H,37,42)(H3,34,35,36,38,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255378
PNG
(CHEMBL480623 | N-(2-aminophenyl)-4-((4-(thiophen-3...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccsc2)cc1
Show InChI InChI=1S/C22H19N5OS/c23-18-3-1-2-4-20(18)26-21(28)16-7-5-15(6-8-16)13-25-22-24-11-9-19(27-22)17-10-12-29-14-17/h1-12,14H,13,23H2,(H,26,28)(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255101
PNG
(CHEMBL519604 | N-(2-aminophenyl)-4-((6-(pyridin-3-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cc(ncn2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-20(19)29-23(30)17-9-7-16(8-10-17)13-26-22-12-21(27-15-28-22)18-4-3-11-25-14-18/h1-12,14-15H,13,24H2,(H,29,30)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232648
PNG
(CHEMBL254309 | N-(2-aminophenyl)-4-((6-methoxy-1H-...)
Show SMILES COc1ccc2nc(SCc3ccc(cc3)C(=O)Nc3ccccc3N)[nH]c2c1
Show InChI InChI=1S/C22H20N4O2S/c1-28-16-10-11-19-20(12-16)26-22(25-19)29-13-14-6-8-15(9-7-14)21(27)24-18-5-3-2-4-17(18)23/h2-12H,13,23H2,1H3,(H,24,27)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232660
PNG
(CHEMBL402599 | N-(2-aminophenyl)-4-((5-phenyl-1,3,...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O2S/c23-18-8-4-5-9-19(18)24-20(27)16-12-10-15(11-13-16)14-29-22-26-25-21(28-22)17-6-2-1-3-7-17/h1-13H,14,23H2,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255425
PNG
(CHEMBL516236 | N-(2-aminophenyl)-4-((4-(4-(2-morph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(OCCN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C30H32N6O3/c31-26-3-1-2-4-28(26)34-29(37)24-7-5-22(6-8-24)21-33-30-32-14-13-27(35-30)23-9-11-25(12-10-23)39-20-17-36-15-18-38-19-16-36/h1-14H,15-21,31H2,(H,34,37)(H,32,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373673
PNG
(CHEMBL258297)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(NC3Cc4ccccc4C3)nc(n2)N2CCOCC2)cc1
Show InChI InChI=1S/C30H32N8O2/c31-25-7-3-4-8-26(25)34-27(39)21-11-9-20(10-12-21)19-32-28-35-29(37-30(36-28)38-13-15-40-16-14-38)33-24-17-22-5-1-2-6-23(22)18-24/h1-12,24H,13-19,31H2,(H,34,39)(H2,32,33,35,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255262
PNG
(CHEMBL479279 | N-(2-aminophenyl)-4-((4-(6-(4-methy...)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C28H30N8O/c1-35-14-16-36(17-15-35)26-11-10-22(19-31-26)24-12-13-30-28(34-24)32-18-20-6-8-21(9-7-20)27(37)33-25-5-3-2-4-23(25)29/h2-13,19H,14-18,29H2,1H3,(H,33,37)(H,30,32,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50105689
PNG
((E)-3-[4-(3,4-Dimethoxy-benzenesulfonylamino)-phen...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C17H18N2O6S/c1-24-15-9-8-14(11-16(15)25-2)26(22,23)19-13-6-3-12(4-7-13)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255424
PNG
(CHEMBL481998 | N-(2-aminophenyl)-4-((4-(4-(morphol...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C29H30N6O2/c30-25-3-1-2-4-27(25)33-28(36)24-11-5-21(6-12-24)19-32-29-31-14-13-26(34-29)23-9-7-22(8-10-23)20-35-15-17-37-18-16-35/h1-14H,15-20,30H2,(H,33,36)(H,31,32,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255263
PNG
(CHEMBL480026 | N-(2-aminophenyl)-4-((4-(6-(methylt...)
Show SMILES CSc1ccc(cn1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H22N6OS/c1-32-22-11-10-18(15-27-22)20-12-13-26-24(30-20)28-14-16-6-8-17(9-7-16)23(31)29-21-5-3-2-4-19(21)25/h2-13,15H,14,25H2,1H3,(H,29,31)(H,26,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232655
PNG
(4-((1H-benzo[d]imidazol-2-ylthio)methyl)-N-(2-amin...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C21H18N4OS/c22-16-5-1-2-6-17(16)23-20(26)15-11-9-14(10-12-15)13-27-21-24-18-7-3-4-8-19(18)25-21/h1-12H,13,22H2,(H,23,26)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255917
PNG
(CHEMBL480923 | N-(2-aminophenyl)-4-((3-(pyridin-3-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cccc(c2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H22N4O/c26-23-8-1-2-9-24(23)29-25(30)19-12-10-18(11-13-19)16-28-22-7-3-5-20(15-22)21-6-4-14-27-17-21/h1-15,17,28H,16,26H2,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373693
PNG
(CHEMBL403596)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cn1
Show InChI InChI=1S/C20H20N4O2/c1-26-19-11-10-16(13-23-19)22-12-14-6-8-15(9-7-14)20(25)24-18-5-3-2-4-17(18)21/h2-11,13,22H,12,21H2,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373674
PNG
(CHEMBL269937)
Show SMILES Nc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(n1)N1CCc2ccccc12
Show InChI InChI=1S/C25H24N8O/c26-19-6-2-3-7-20(19)29-22(34)18-11-9-16(10-12-18)15-28-24-30-23(27)31-25(32-24)33-14-13-17-5-1-4-8-21(17)33/h1-12H,13-15,26H2,(H,29,34)(H3,27,28,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232647
PNG
(CHEMBL254111 | N-(2-aminophenyl)-4-((5-chlorobenzo...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc3cc(Cl)ccc3o2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c22-15-9-10-19-18(11-15)26-21(28-19)24-12-13-5-7-14(8-6-13)20(27)25-17-4-2-1-3-16(17)23/h1-11H,12,23H2,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373678
PNG
(CHEMBL271641)
Show SMILES COc1cccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C20H20N4O2/c1-26-19-8-4-7-18(24-19)22-13-14-9-11-15(12-10-14)20(25)23-17-6-3-2-5-16(17)21/h2-12H,13,21H2,1H3,(H,22,24)(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232652
PNG
(4-((1H-benzo[d]imidazol-2-ylamino)methyl)-N-(2-ami...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C21H19N5O/c22-16-5-1-2-6-17(16)24-20(27)15-11-9-14(10-12-15)13-23-21-25-18-7-3-4-8-19(18)26-21/h1-12H,13,22H2,(H,24,27)(H2,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232651
PNG
(CHEMBL253912 | N-(2-aminophenyl)-4-((benzo[d]thiaz...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H17N3OS2/c22-16-5-1-2-6-17(16)23-20(25)15-11-9-14(10-12-15)13-26-21-24-18-7-3-4-8-19(18)27-21/h1-12H,13,22H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373684
PNG
(CHEMBL403285)
Show SMILES Nc1nc(NCCc2ccccc2)nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C25H26N8O/c26-20-8-4-5-9-21(20)30-22(34)19-12-10-18(11-13-19)16-29-25-32-23(27)31-24(33-25)28-15-14-17-6-2-1-3-7-17/h1-13H,14-16,26H2,(H,30,34)(H4,27,28,29,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373690
PNG
(CHEMBL271652)
Show SMILES COc1ccc(cc1OC)-c1cc(Cl)nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C26H24ClN5O3/c1-34-22-12-11-18(13-23(22)35-2)21-14-24(27)32-26(31-21)29-15-16-7-9-17(10-8-16)25(33)30-20-6-4-3-5-19(20)28/h3-14H,15,28H2,1-2H3,(H,30,33)(H,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373691
PNG
(CHEMBL271100)
Show SMILES COc1cc(OC)nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C20H21N5O3/c1-27-17-11-18(28-2)25-20(24-17)22-12-13-7-9-14(10-8-13)19(26)23-16-6-4-3-5-15(16)21/h3-11H,12,21H2,1-2H3,(H,23,26)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50105692
PNG
((E)-3-[4-(4-tert-Butyl-benzenesulfonylamino)-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C19H22N2O4S/c1-19(2,3)15-7-11-17(12-8-15)26(24,25)21-16-9-4-14(5-10-16)6-13-18(22)20-23/h4-13,21,23H,1-3H3,(H,20,22)/b13-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50373694
PNG
(CHEMBL271852)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cccc(F)n2)cc1
Show InChI InChI=1S/C19H17FN4O/c20-17-6-3-7-18(24-17)22-12-13-8-10-14(11-9-13)19(25)23-16-5-2-1-4-15(16)21/h1-11H,12,21H2,(H,22,24)(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)


J Med Chem 46: 820-30 (2003)


Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255102
PNG
(CHEMBL481211 | N-(2-aminophenyl)-4-((6-(pyridin-3-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cncc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-20(19)29-23(30)17-9-7-16(8-10-17)12-27-22-15-26-14-21(28-22)18-4-3-11-25-13-18/h1-11,13-15H,12,24H2,(H,27,28)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255469
PNG
(CHEMBL480043 | N-(2-aminophenyl)-4-((4-(4-(2-(dime...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C28H30N6O2/c1-34(2)17-18-36-23-13-11-21(12-14-23)25-15-16-30-28(33-25)31-19-20-7-9-22(10-8-20)27(35)32-26-6-4-3-5-24(26)29/h3-16H,17-19,29H2,1-2H3,(H,32,35)(H,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255470
PNG
(CHEMBL480044 | N-(2-aminophenyl)-4-((4-(3-(2-(dime...)
Show SMILES CN(C)CCOc1cccc(c1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C28H30N6O2/c1-34(2)16-17-36-23-7-5-6-22(18-23)25-14-15-30-28(33-25)31-19-20-10-12-21(13-11-20)27(35)32-26-9-4-3-8-24(26)29/h3-15,18H,16-17,19,29H2,1-2H3,(H,32,35)(H,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50234080
PNG
(CHEMBL258813 | N-(2-aminophenyl)-4-(3-(4-(pyridin-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(\C=C\CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H22N6O/c26-21-7-1-2-8-23(21)30-24(32)19-11-9-18(10-12-19)5-3-15-28-25-29-16-13-22(31-25)20-6-4-14-27-17-20/h1-14,16-17H,15,26H2,(H,30,32)(H,28,29,31)/b5-3+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255422
PNG
(4-((4-(1H-pyrazol-5-yl)pyrimidin-2-ylamino)methyl)...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cc[nH]n2)cc1
Show InChI InChI=1S/C21H19N7O/c22-16-3-1-2-4-17(16)26-20(29)15-7-5-14(6-8-15)13-24-21-23-11-9-18(27-21)19-10-12-25-28-19/h1-12H,13,22H2,(H,25,28)(H,26,29)(H,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50255422
PNG
(4-((4-(1H-pyrazol-5-yl)pyrimidin-2-ylamino)methyl)...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cc[nH]n2)cc1
Show InChI InChI=1S/C21H19N7O/c22-16-3-1-2-4-17(16)26-20(29)15-7-5-14(6-8-15)13-24-21-23-11-9-18(27-21)19-10-12-25-28-19/h1-12H,13,22H2,(H,25,28)(H,26,29)(H,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255468
PNG
(CHEMBL515292 | N-(2-aminophenyl)-4-((4-(3-(2-morph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccc(OCCN3CCOCC3)c2)cc1
Show InChI InChI=1S/C30H32N6O3/c31-26-6-1-2-7-28(26)34-29(37)23-10-8-22(9-11-23)21-33-30-32-13-12-27(35-30)24-4-3-5-25(20-24)39-19-16-36-14-17-38-18-15-36/h1-13,20H,14-19,21,31H2,(H,34,37)(H,32,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50255379
PNG
(CHEMBL520084 | N-(2-aminophenyl)-4-((4-(thiazol-2-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2nccs2)cc1
Show InChI InChI=1S/C21H18N6OS/c22-16-3-1-2-4-17(16)26-19(28)15-7-5-14(6-8-15)13-25-21-24-10-9-18(27-21)20-23-11-12-29-20/h1-12H,13,22H2,(H,26,28)(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 217 total )  |  Next  |  Last  >>
Jump to: