Found 50 hits with Last Name = 'wash' and Initial = 'pl' 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 |
|---|
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275377
(CHEMBL520237 | S-2-(6-(4-(3-(dimethylamino)propoxy...)Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O Show InChI InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479670
(CHEMBL475631)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)nc1 Show InChI InChI=1S/C19H16N2O4S2/c1-13(22)26-12-18(23)16-7-9-19(20-11-16)21-27(24,25)17-8-6-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50275377
(CHEMBL520237 | S-2-(6-(4-(3-(dimethylamino)propoxy...)Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O Show InChI InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50275377
(CHEMBL520237 | S-2-(6-(4-(3-(dimethylamino)propoxy...)Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O Show InChI InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch-clamp assay |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50275377
(CHEMBL520237 | S-2-(6-(4-(3-(dimethylamino)propoxy...)Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O Show InChI InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50275432
(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1 Show InChI InChI=1S/C17H16N2O6S2/c1-11(20)26-10-16(21)12-3-5-17(18-7-12)19-27(22,23)15-4-2-13-8-24-25-9-14(13)6-15/h2-7H,8-10H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50275432
(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1 Show InChI InChI=1S/C17H16N2O6S2/c1-11(20)26-10-16(21)12-3-5-17(18-7-12)19-27(22,23)15-4-2-13-8-24-25-9-14(13)6-15/h2-7H,8-10H2,1H3,(H,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275432
(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1 Show InChI InChI=1S/C17H16N2O6S2/c1-11(20)26-10-16(21)12-3-5-17(18-7-12)19-27(22,23)15-4-2-13-8-24-25-9-14(13)6-15/h2-7H,8-10H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50275432
(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1 Show InChI InChI=1S/C17H16N2O6S2/c1-11(20)26-10-16(21)12-3-5-17(18-7-12)19-27(22,23)15-4-2-13-8-24-25-9-14(13)6-15/h2-7H,8-10H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50275432
(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1 Show InChI InChI=1S/C17H16N2O6S2/c1-11(20)26-10-16(21)12-3-5-17(18-7-12)19-27(22,23)15-4-2-13-8-24-25-9-14(13)6-15/h2-7H,8-10H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50275432
(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1 Show InChI InChI=1S/C17H16N2O6S2/c1-11(20)26-10-16(21)12-3-5-17(18-7-12)19-27(22,23)15-4-2-13-8-24-25-9-14(13)6-15/h2-7H,8-10H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch-clamp assay |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50275377
(CHEMBL520237 | S-2-(6-(4-(3-(dimethylamino)propoxy...)Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O Show InChI InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479635
(CHEMBL480560)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C16H13Cl2NO4S2/c1-10(20)24-9-16(21)11-2-4-12(5-3-11)19-25(22,23)13-6-7-14(17)15(18)8-13/h2-8,19H,9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479636
(CHEMBL474987)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3OCOc3c2)nc1 Show InChI InChI=1S/C16H14N2O6S2/c1-10(19)25-8-13(20)11-2-5-16(17-7-11)18-26(21,22)12-3-4-14-15(6-12)24-9-23-14/h2-7H,8-9H2,1H3,(H,17,18) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479637
(CHEMBL520079)Show InChI InChI=1S/C16H15NO4S2/c1-12(18)22-11-16(19)13-7-9-14(10-8-13)17-23(20,21)15-5-3-2-4-6-15/h2-10,17H,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479638
(CHEMBL473426)Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(cc1)C(=O)CSC(C)=O Show InChI InChI=1S/C18H19NO6S2/c1-12(20)26-11-16(21)13-4-6-14(7-5-13)19-27(22,23)15-8-9-17(24-2)18(10-15)25-3/h4-10,19H,11H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479639
(CHEMBL515103)Show SMILES CN1CCOc2cc(ccc12)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O Show InChI InChI=1S/C18H19N3O5S2/c1-12(22)27-11-16(23)13-3-6-18(19-10-13)20-28(24,25)14-4-5-15-17(9-14)26-8-7-21(15)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479640
(CHEMBL475469)Show InChI InChI=1S/C15H14N2O4S2/c1-11(18)22-10-14(19)12-7-8-15(16-9-12)17-23(20,21)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479641
(CHEMBL482346)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C16H14ClNO4S2/c1-11(19)23-10-16(20)12-5-7-14(8-6-12)18-24(21,22)15-4-2-3-13(17)9-15/h2-9,18H,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479642
(CHEMBL454749)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12-3-9-16(10-4-12)24(21,22)18-15-7-5-14(6-8-15)17(20)11-23-13(2)19/h3-10,18H,11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479643
(CHEMBL475624)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3OCCc3c2)cc1 Show InChI InChI=1S/C18H17NO5S2/c1-12(20)25-11-17(21)13-2-4-15(5-3-13)19-26(22,23)16-6-7-18-14(10-16)8-9-24-18/h2-7,10,19H,8-9,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 82 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479644
(CHEMBL455757)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3n(C)cnc3c2)cc1 Show InChI InChI=1S/C18H17N3O4S2/c1-12(22)26-10-18(23)13-3-5-14(6-4-13)20-27(24,25)15-7-8-17-16(9-15)19-11-21(17)2/h3-9,11,20H,10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479645
(CHEMBL514325)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C18H16N2O4S2/c1-12(21)25-11-18(22)13-2-4-15(5-3-13)20-26(23,24)16-6-7-17-14(10-16)8-9-19-17/h2-10,19-20H,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479646
(CHEMBL473615)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3CCNc3c2)cc1 Show InChI InChI=1S/C18H18N2O4S2/c1-12(21)25-11-18(22)14-2-5-15(6-3-14)20-26(23,24)16-7-4-13-8-9-19-17(13)10-16/h2-7,10,19-20H,8-9,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 47 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479644
(CHEMBL455757)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3n(C)cnc3c2)cc1 Show InChI InChI=1S/C18H17N3O4S2/c1-12(22)26-10-18(23)13-3-5-14(6-4-13)20-27(24,25)15-7-8-17-16(9-15)19-11-21(17)2/h3-9,11,20H,10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479647
(CHEMBL515291)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C18H17NO6S2/c1-12(20)26-11-16(21)13-2-4-14(5-3-13)19-27(22,23)15-6-7-17-18(10-15)25-9-8-24-17/h2-7,10,19H,8-9,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479648
(CHEMBL472142)Show SMILES CC(=O)SCC(=O)c1ccc(cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H14F3NO4S/c1-11(23)27-10-16(24)12-2-4-13(5-3-12)17(25)22-14-6-8-15(9-7-14)26-18(19,20)21/h2-9H,10H2,1H3,(H,22,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.71E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479650
(CHEMBL482165)Show SMILES CC(=O)SCC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H14F3NO5S2/c1-11(22)27-10-16(23)12-2-8-15(9-3-12)28(24,25)21-13-4-6-14(7-5-13)26-17(18,19)20/h2-9,21H,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479651
(CHEMBL521243)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C16H14FNO4S2/c1-11(19)23-10-16(20)12-2-6-14(7-3-12)18-24(21,22)15-8-4-13(17)5-9-15/h2-9,18H,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 950 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 550 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479653
(CHEMBL481898)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C17H14F3NO4S2/c1-11(22)26-10-16(23)12-2-6-14(7-3-12)21-27(24,25)15-8-4-13(5-9-15)17(18,19)20/h2-9,21H,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479655
(CHEMBL475468)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C17H15NO6S2/c1-11(19)25-9-15(20)12-2-4-13(5-3-12)18-26(21,22)14-6-7-16-17(8-14)24-10-23-16/h2-8,18H,9-10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 88 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479657
(CHEMBL517242)Show SMILES CC(=O)SCC(=O)c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C18H16F3NO3S/c1-12(23)26-11-17(24)14-4-6-15(7-5-14)22-10-13-2-8-16(9-3-13)25-18(19,20)21/h2-9,22H,10-11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479658
(CHEMBL480562)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H14ClNO4S2/c1-11(19)23-10-16(20)12-2-6-14(7-3-12)18-24(21,22)15-8-4-13(17)5-9-15/h2-9,18H,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479660
(CHEMBL514179)Show SMILES CN1CCOc2cc(ccc12)S(=O)(=O)Nc1ccc(cc1)C(=O)CSC(C)=O Show InChI InChI=1S/C19H20N2O5S2/c1-13(22)27-12-18(23)14-3-5-15(6-4-14)20-28(24,25)16-7-8-17-19(11-16)26-10-9-21(17)2/h3-8,11,20H,9-10,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479661
(CHEMBL473616)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3CCN(C(C)=O)c3c2)cc1 Show InChI InChI=1S/C20H20N2O5S2/c1-13(23)22-10-9-15-5-8-18(11-19(15)22)29(26,27)21-17-6-3-16(4-7-17)20(25)12-28-14(2)24/h3-8,11,21H,9-10,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 91 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479663
(CHEMBL482345)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 Show InChI InChI=1S/C16H14ClNO4S2/c1-11(19)23-10-15(20)12-6-8-13(9-7-12)18-24(21,22)16-5-3-2-4-14(16)17/h2-9,18H,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 850 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479664
(CHEMBL520443)Show SMILES CC(=O)SCC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C18H15F3N2O4S/c1-11(24)28-10-16(25)12-2-4-13(5-3-12)22-17(26)23-14-6-8-15(9-7-14)27-18(19,20)21/h2-9H,10H2,1H3,(H2,22,23,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479666
(CHEMBL473821)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3OCCc3c2)nc1 Show InChI InChI=1S/C17H16N2O5S2/c1-11(20)25-10-15(21)13-2-5-17(18-9-13)19-26(22,23)14-3-4-16-12(8-14)6-7-24-16/h2-5,8-9H,6-7,10H2,1H3,(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 95 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479668
(CHEMBL475788)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3cc[nH]c3c2)cc1 Show InChI InChI=1S/C18H16N2O4S2/c1-12(21)25-11-18(22)14-2-5-15(6-3-14)20-26(23,24)16-7-4-13-8-9-19-17(13)10-16/h2-10,19-20H,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479669
(CHEMBL480589)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C17H14F3NO5S2/c1-11(22)27-10-16(23)12-2-4-13(5-3-12)21-28(24,25)15-8-6-14(7-9-15)26-17(18,19)20/h2-9,21H,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479649
(CHEMBL480378)Show SMILES CN(c1ccc(cc1)C(=O)CSC(C)=O)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3NO5S2/c1-12(23)28-11-17(24)13-3-5-14(6-4-13)22(2)29(25,26)16-9-7-15(8-10-16)27-18(19,20)21/h3-10H,11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479652
(CHEMBL480561)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C16H14FNO4S2/c1-11(19)23-10-16(20)12-5-7-14(8-6-12)18-24(21,22)15-4-2-3-13(17)9-15/h2-9,18H,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479654
(CHEMBL520109)Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)CSC(C)=O Show InChI InChI=1S/C17H17NO5S2/c1-12(19)24-11-17(20)13-6-8-14(9-7-13)18-25(21,22)16-5-3-4-15(10-16)23-2/h3-10,18H,11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479656
(CHEMBL474427)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C20H17NO4S2/c1-14(22)26-13-20(23)16-6-9-18(10-7-16)21-27(24,25)19-11-8-15-4-2-3-5-17(15)12-19/h2-12,21H,13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479659
(CHEMBL474428)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3NCCc3c2)cc1 Show InChI InChI=1S/C18H18N2O4S2/c1-12(21)25-11-18(22)13-2-4-15(5-3-13)20-26(23,24)16-6-7-17-14(10-16)8-9-19-17/h2-7,10,19-20H,8-9,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479662
(CHEMBL480931)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)CSC(C)=O Show InChI InChI=1S/C17H17NO5S2/c1-12(19)24-11-17(20)13-3-5-14(6-4-13)18-25(21,22)16-9-7-15(23-2)8-10-16/h3-10,18H,11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479665
(CHEMBL480588)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 Show InChI InChI=1S/C17H14F3NO5S2/c1-11(22)27-10-16(23)12-5-7-13(8-6-12)21-28(24,25)15-4-2-3-14(9-15)26-17(18,19)20/h2-9,21H,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 790 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479667
(CHEMBL473820)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3n(C)cnc3c2)nc1 Show InChI InChI=1S/C17H16N4O4S2/c1-11(22)26-9-16(23)12-3-6-17(18-8-12)20-27(24,25)13-4-5-15-14(7-13)19-10-21(15)2/h3-8,10H,9H2,1-2H3,(H,18,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058
BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50275377
(CHEMBL520237 | S-2-(6-(4-(3-(dimethylamino)propoxy...)Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O Show InChI InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Search and Browse
