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 2
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381683
(CHEMBL2022825)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1nc(cs1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C30H32N4O3S3/c35-28(34-29-32-26(22-38-29)24-15-7-4-8-16-24)25(33-30(36)37-21-23-13-5-3-6-14-23)17-9-1-2-12-20-39-40-27-18-10-11-19-31-27/h3-8,10-11,13-16,18-19,22,25H,1-2,9,12,17,20-21H2,(H,33,36)(H,32,34,35)/t25-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381683
(CHEMBL2022825)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1nc(cs1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C30H32N4O3S3/c35-28(34-29-32-26(22-38-29)24-15-7-4-8-16-24)25(33-30(36)37-21-23-13-5-3-6-14-23)17-9-1-2-12-20-39-40-27-18-10-11-19-31-27/h3-8,10-11,13-16,18-19,22,25H,1-2,9,12,17,20-21H2,(H,33,36)(H,32,34,35)/t25-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381687
(CHEMBL2022829)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCC1c2ccccc2-c2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C35H36N2O4S2/c38-34(40-25-31-29-18-9-7-16-27(29)28-17-8-10-19-30(28)31)32(37-35(39)41-24-26-14-4-3-5-15-26)20-6-1-2-13-23-42-43-33-21-11-12-22-36-33/h3-5,7-12,14-19,21-22,31-32H,1-2,6,13,20,23-25H2,(H,37,39)/t32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381687
(CHEMBL2022829)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCC1c2ccccc2-c2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C35H36N2O4S2/c38-34(40-25-31-29-18-9-7-16-27(29)28-17-8-10-19-30(28)31)32(37-35(39)41-24-26-14-4-3-5-15-26)20-6-1-2-13-23-42-43-33-21-11-12-22-36-33/h3-5,7-12,14-19,21-22,31-32H,1-2,6,13,20,23-25H2,(H,37,39)/t32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381681
(CHEMBL2022823)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1cccc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C31H33N3O3S2/c35-30(33-27-19-12-16-25-15-7-8-17-26(25)27)28(34-31(36)37-23-24-13-4-3-5-14-24)18-6-1-2-11-22-38-39-29-20-9-10-21-32-29/h3-5,7-10,12-17,19-21,28H,1-2,6,11,18,22-23H2,(H,33,35)(H,34,36)/t28-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381678
(CHEMBL2022833)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1cccc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O4S2/c35-31(37-24-27-17-12-16-26-15-7-8-18-28(26)27)29(34-32(36)38-23-25-13-4-3-5-14-25)19-6-1-2-11-22-39-40-30-20-9-10-21-33-30/h3-5,7-10,12-18,20-21,29H,1-2,6,11,19,22-24H2,(H,34,36)/t29-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381690
(CHEMBL2022832)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc2ccccc2c1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O4S2/c35-31(37-24-26-18-19-27-14-7-8-15-28(27)22-26)29(34-32(36)38-23-25-12-4-3-5-13-25)16-6-1-2-11-21-39-40-30-17-9-10-20-33-30/h3-5,7-10,12-15,17-20,22,29H,1-2,6,11,16,21,23-24H2,(H,34,36)/t29-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381680
(CHEMBL2021937)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc(cc1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C34H36N2O4S2/c37-33(39-25-28-19-21-30(22-20-28)29-15-7-4-8-16-29)31(36-34(38)40-26-27-13-5-3-6-14-27)17-9-1-2-12-24-41-42-32-18-10-11-23-35-32/h3-8,10-11,13-16,18-23,31H,1-2,9,12,17,24-26H2,(H,36,38)/t31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381679
(CHEMBL2022834)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1c2ccccc2cc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C36H36N2O4S2/c39-35(41-26-32-30-18-9-7-16-28(30)24-29-17-8-10-19-31(29)32)33(38-36(40)42-25-27-14-4-3-5-15-27)20-6-1-2-13-23-43-44-34-21-11-12-22-37-34/h3-5,7-12,14-19,21-22,24,33H,1-2,6,13,20,23,25-26H2,(H,38,40)/t33-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 43.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381682
(CHEMBL2022824)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1CCCCC1)OCc1ccccc1 |r| Show InChI InChI=1S/C27H37N3O3S2/c31-26(29-23-15-7-4-8-16-23)24(30-27(32)33-21-22-13-5-3-6-14-22)17-9-1-2-12-20-34-35-25-18-10-11-19-28-25/h3,5-6,10-11,13-14,18-19,23-24H,1-2,4,7-9,12,15-17,20-21H2,(H,29,31)(H,30,32)/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 44.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381684
(CHEMBL2022826)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-20-11-10-19-28(29)27-17-7-4-8-18-27)30(36-33(38)39-25-26-15-5-3-6-16-26)21-9-1-2-14-24-40-41-31-22-12-13-23-34-31/h3-8,10-13,15-20,22-23,30H,1-2,9,14,21,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 45.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381688
(CHEMBL2022830)Show SMILES [O-][N+](=O)c1ccc(COC(=O)[C@H](CCCCCCSSc2ccccn2)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H31N3O6S2/c32-27(36-20-23-14-16-24(17-15-23)31(34)35)25(30-28(33)37-21-22-10-4-3-5-11-22)12-6-1-2-9-19-38-39-26-13-7-8-18-29-26/h3-5,7-8,10-11,13-18,25H,1-2,6,9,12,19-21H2,(H,30,33)/t25-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 45.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381685
(CHEMBL2022827)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccc(cc1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-21-19-28(20-22-29)27-15-7-4-8-16-27)30(36-33(38)39-25-26-13-5-3-6-14-26)17-9-1-2-12-24-40-41-31-18-10-11-23-34-31/h3-8,10-11,13-16,18-23,30H,1-2,9,12,17,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 46.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381686
(CHEMBL2022828)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1c2ccccc2-c2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C34H35N3O3S2/c38-33(37-32-28-18-9-7-16-26(28)27-17-8-10-19-29(27)32)30(36-34(39)40-24-25-14-4-3-5-15-25)20-6-1-2-13-23-41-42-31-21-11-12-22-35-31/h3-5,7-12,14-19,21-22,30,32H,1-2,6,13,20,23-24H2,(H,36,39)(H,37,38)/t30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 48.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50381689
(CHEMBL2022831)Show SMILES [O-][N+](=O)c1cccc(COC(=O)[C@H](CCCCCCSSc2ccccn2)NC(=O)OCc2ccccc2)c1 |r| Show InChI InChI=1S/C28H31N3O6S2/c32-27(36-21-23-13-10-14-24(19-23)31(34)35)25(30-28(33)37-20-22-11-4-3-5-12-22)15-6-1-2-9-18-38-39-26-16-7-8-17-29-26/h3-5,7-8,10-14,16-17,19,25H,1-2,6,9,15,18,20-21H2,(H,30,33)/t25-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 48.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381679
(CHEMBL2022834)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1c2ccccc2cc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C36H36N2O4S2/c39-35(41-26-32-30-18-9-7-16-28(30)24-29-17-8-10-19-31(29)32)33(38-36(40)42-25-27-14-4-3-5-15-27)20-6-1-2-13-23-43-44-34-21-11-12-22-37-34/h3-5,7-12,14-19,21-22,24,33H,1-2,6,13,20,23,25-26H2,(H,38,40)/t33-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381680
(CHEMBL2021937)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc(cc1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C34H36N2O4S2/c37-33(39-25-28-19-21-30(22-20-28)29-15-7-4-8-16-29)31(36-34(38)40-26-27-13-5-3-6-14-27)17-9-1-2-12-24-41-42-32-18-10-11-23-35-32/h3-8,10-11,13-16,18-23,31H,1-2,9,12,17,24-26H2,(H,36,38)/t31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 64.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381688
(CHEMBL2022830)Show SMILES [O-][N+](=O)c1ccc(COC(=O)[C@H](CCCCCCSSc2ccccn2)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H31N3O6S2/c32-27(36-20-23-14-16-24(17-15-23)31(34)35)25(30-28(33)37-21-22-10-4-3-5-11-22)12-6-1-2-9-19-38-39-26-13-7-8-18-29-26/h3-5,7-8,10-11,13-18,25H,1-2,6,9,12,19-21H2,(H,30,33)/t25-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 64.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381678
(CHEMBL2022833)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1cccc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O4S2/c35-31(37-24-27-17-12-16-26-15-7-8-18-28(26)27)29(34-32(36)38-23-25-13-4-3-5-14-25)19-6-1-2-11-22-39-40-30-20-9-10-21-33-30/h3-5,7-10,12-18,20-21,29H,1-2,6,11,19,22-24H2,(H,34,36)/t29-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 64.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381690
(CHEMBL2022832)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc2ccccc2c1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O4S2/c35-31(37-24-26-18-19-27-14-7-8-15-28(27)22-26)29(34-32(36)38-23-25-12-4-3-5-13-25)16-6-1-2-11-21-39-40-30-17-9-10-20-33-30/h3-5,7-10,12-15,17-20,22,29H,1-2,6,11,16,21,23-24H2,(H,34,36)/t29-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 65.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381681
(CHEMBL2022823)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1cccc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C31H33N3O3S2/c35-30(33-27-19-12-16-25-15-7-8-17-26(25)27)28(34-31(36)37-23-24-13-4-3-5-14-24)18-6-1-2-11-22-38-39-29-20-9-10-21-32-29/h3-5,7-10,12-17,19-21,28H,1-2,6,11,18,22-23H2,(H,33,35)(H,34,36)/t28-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 65.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381689
(CHEMBL2022831)Show SMILES [O-][N+](=O)c1cccc(COC(=O)[C@H](CCCCCCSSc2ccccn2)NC(=O)OCc2ccccc2)c1 |r| Show InChI InChI=1S/C28H31N3O6S2/c32-27(36-21-23-13-10-14-24(19-23)31(34)35)25(30-28(33)37-20-22-11-4-3-5-12-22)15-6-1-2-9-18-38-39-26-16-7-8-17-29-26/h3-5,7-8,10-14,16-17,19,25H,1-2,6,9,15,18,20-21H2,(H,30,33)/t25-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 66.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381682
(CHEMBL2022824)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1CCCCC1)OCc1ccccc1 |r| Show InChI InChI=1S/C27H37N3O3S2/c31-26(29-23-15-7-4-8-16-23)24(30-27(32)33-21-22-13-5-3-6-14-22)17-9-1-2-12-20-34-35-25-18-10-11-19-28-25/h3,5-6,10-11,13-14,18-19,23-24H,1-2,4,7-9,12,15-17,20-21H2,(H,29,31)(H,30,32)/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 66.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381686
(CHEMBL2022828)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1c2ccccc2-c2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C34H35N3O3S2/c38-33(37-32-28-18-9-7-16-26(28)27-17-8-10-19-29(27)32)30(36-34(39)40-24-25-14-4-3-5-15-25)20-6-1-2-13-23-41-42-31-21-11-12-22-35-31/h3-5,7-12,14-19,21-22,30,32H,1-2,6,13,20,23-24H2,(H,36,39)(H,37,38)/t30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 68.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381685
(CHEMBL2022827)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccc(cc1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-21-19-28(20-22-29)27-15-7-4-8-16-27)30(36-33(38)39-25-26-13-5-3-6-14-26)17-9-1-2-12-24-40-41-31-18-10-11-23-34-31/h3-8,10-11,13-16,18-23,30H,1-2,9,12,17,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50381684
(CHEMBL2022826)Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-20-11-10-19-28(29)27-17-7-4-8-18-27)30(36-33(38)39-25-26-15-5-3-6-16-26)21-9-1-2-14-24-40-41-31-22-12-13-23-34-31/h3-8,10-13,15-20,22-23,30H,1-2,9,14,21,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 71.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay |
Eur J Med Chem 52: 111-22 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8 |
More data for this Ligand-Target Pair | |