Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50028010 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 6
(Homo sapiens (Human)) | BDBM50255096
(4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255853
(4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...)Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255852
(4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(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
| PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255914
(4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255854
((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...)Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1 | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255809
(4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255910
(4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...)Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255912
(4-(((R)-2-((1H-indol-3-yl)methyl)-3,6-dioxopiperaz...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C21H20N4O4/c26-19-11-23-21(28)18(9-15-10-22-17-4-2-1-3-16(15)17)25(19)12-13-5-7-14(8-6-13)20(27)24-29/h1-8,10,18,22,29H,9,11-12H2,(H,23,28)(H,24,27)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255097
(4-((2,3-dihydro-2-oxoquinoxalin-4(1H)-yl)methyl)-N...)Show InChI InChI=1S/C16H15N3O3/c20-15-10-19(14-4-2-1-3-13(14)17-15)9-11-5-7-12(8-6-11)16(21)18-22/h1-8,22H,9-10H2,(H,17,20)(H,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255913
(CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1 | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255911
(4-(((R)-2-benzyl-3,6-dioxopiperazin-1-yl)methyl)-N...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O4/c23-17-11-20-19(25)16(10-13-4-2-1-3-5-13)22(17)12-14-6-8-15(9-7-14)18(24)21-26/h1-9,16,26H,10-12H2,(H,20,25)(H,21,24)/t16-/m1/s1 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255095
(4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...)Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255095
(4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...)Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255910
(4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...)Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255096
(4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255851
(4-(((S)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...)Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255852
(4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255809
(4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255913
(CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1 | 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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255809
(4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255095
(4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...)Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255853
(4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...)Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255097
(4-((2,3-dihydro-2-oxoquinoxalin-4(1H)-yl)methyl)-N...)Show InChI InChI=1S/C16H15N3O3/c20-15-10-19(14-4-2-1-3-13(14)17-15)9-11-5-7-12(8-6-11)16(21)18-22/h1-8,22H,9-10H2,(H,17,20)(H,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255096
(4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255097
(4-((2,3-dihydro-2-oxoquinoxalin-4(1H)-yl)methyl)-N...)Show InChI InChI=1S/C16H15N3O3/c20-15-10-19(14-4-2-1-3-13(14)17-15)9-11-5-7-12(8-6-11)16(21)18-22/h1-8,22H,9-10H2,(H,17,20)(H,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255853
(4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...)Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255914
(4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255852
(4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(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
| PDB Article PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255914
(4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255854
((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...)Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1 | 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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255851
(4-(((S)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...)Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255912
(4-(((R)-2-((1H-indol-3-yl)methyl)-3,6-dioxopiperaz...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C21H20N4O4/c26-19-11-23-21(28)18(9-15-10-22-17-4-2-1-3-16(15)17)25(19)12-13-5-7-14(8-6-13)20(27)24-29/h1-8,10,18,22,29H,9,11-12H2,(H,23,28)(H,24,27)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255910
(4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...)Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255854
((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...)Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1 | 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 | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255851
(4-(((S)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...)Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255912
(4-(((R)-2-((1H-indol-3-yl)methyl)-3,6-dioxopiperaz...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C21H20N4O4/c26-19-11-23-21(28)18(9-15-10-22-17-4-2-1-3-16(15)17)25(19)12-13-5-7-14(8-6-13)20(27)24-29/h1-8,10,18,22,29H,9,11-12H2,(H,23,28)(H,24,27)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50255911
(4-(((R)-2-benzyl-3,6-dioxopiperazin-1-yl)methyl)-N...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O4/c23-17-11-20-19(25)16(10-13-4-2-1-3-5-13)22(17)12-14-6-8-15(9-7-14)18(24)21-26/h1-9,16,26H,10-12H2,(H,20,25)(H,21,24)/t16-/m1/s1 | 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 | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255913
(CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1 | 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 | 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50255911
(4-(((R)-2-benzyl-3,6-dioxopiperazin-1-yl)methyl)-N...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O4/c23-17-11-20-19(25)16(10-13-4-2-1-3-5-13)22(17)12-14-6-8-15(9-7-14)18(24)21-26/h1-9,16,26H,10-12H2,(H,20,25)(H,21,24)/t16-/m1/s1 | 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 | 5.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | |