Found 28 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232653
(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
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232646
(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/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232650
(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
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232648
(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
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232655
(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
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL253912 | N-(2-aminophenyl)-4-((benzo[d]thiaz...)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
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232647
(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/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232652
(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/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232662
(CHEMBL253910 | N-(2-aminophenyl)-4-((5-(methylthio...)Show InChI InChI=1S/C17H18N6OS/c1-25-17-21-16(22-23-17)19-10-11-6-8-12(9-7-11)15(24)20-14-5-3-2-4-13(14)18/h2-9H,10,18H2,1H3,(H,20,24)(H2,19,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232661
(CHEMBL253911 | N-(2-aminophenyl)-4-((5-(4-chloroph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2ncc(s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClN4OS/c24-18-11-9-16(10-12-18)21-14-27-23(30-21)26-13-15-5-7-17(8-6-15)22(29)28-20-4-2-1-3-19(20)25/h1-12,14H,13,25H2,(H,26,27)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232645
(CHEMBL415091 | N-(2-aminophenyl)-4-((5-bromothiazo...)Show InChI InChI=1S/C17H15BrN4OS/c18-15-10-21-17(24-15)20-9-11-5-7-12(8-6-11)16(23)22-14-4-2-1-3-13(14)19/h1-8,10H,9,19H2,(H,20,21)(H,22,23) | 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/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232657
(4-((1H-imidazol-2-ylthio)methyl)-N-(2-aminophenyl)...)Show InChI InChI=1S/C17H16N4OS/c18-14-3-1-2-4-15(14)21-16(22)13-7-5-12(6-8-13)11-23-17-19-9-10-20-17/h1-10H,11,18H2,(H,19,20)(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232654
(CHEMBL403695 | N-(2-aminophenyl)-4-((6-(pyridin-3-...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCc4cccnc4)cc3s2)cc1 Show InChI InChI=1S/C27H23N5OS2/c28-22-5-1-2-6-23(22)31-26(33)20-9-7-18(8-10-20)17-34-27-32-24-12-11-21(14-25(24)35-27)30-16-19-4-3-13-29-15-19/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
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50232659
(CHEMBL402382 | N-(2-aminophenyl)-4-((1-methyl-1H-i...)Show InChI InChI=1S/C18H18N4OS/c1-22-11-10-20-18(22)24-12-13-6-8-14(9-7-13)17(23)21-16-5-3-2-4-15(16)19/h2-11H,12,19H2,1H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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)) | BDBM50232646
(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/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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)) | BDBM50232648
(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
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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)) | BDBM50232647
(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/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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
(CHEMBL253912 | N-(2-aminophenyl)-4-((benzo[d]thiaz...)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
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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)) | BDBM50232653
(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
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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)) | BDBM50232650
(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
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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
(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
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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)) | BDBM50232654
(CHEMBL403695 | N-(2-aminophenyl)-4-((6-(pyridin-3-...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCc4cccnc4)cc3s2)cc1 Show InChI InChI=1S/C27H23N5OS2/c28-22-5-1-2-6-23(22)31-26(33)20-9-7-18(8-10-20)17-34-27-32-24-12-11-21(14-25(24)35-27)30-16-19-4-3-13-29-15-19/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
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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)) | BDBM50232652
(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/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275 |
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 | |
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