Found 43 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 6
(Homo sapiens (Human)) | BDBM50346734
(CHEMBL1797983)Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H40N4O8/c1-7-18(2)26(32-29(38)42-30(3,4)5)28(37)34-16-20-14-23(41-17-25(35)33-39)11-8-19(20)15-24(34)27(36)31-21-9-12-22(40-6)13-10-21/h8-14,18,24,26,39H,7,15-17H2,1-6H3,(H,31,36)(H,32,38)(H,33,35)/t18-,24-,26-/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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346733
(CHEMBL1798004)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H39N5O7/c1-4-18(2)27(33-28(37)24-6-5-13-31-24)30(39)35-16-20-14-23(42-17-26(36)34-40)10-7-19(20)15-25(35)29(38)32-21-8-11-22(41-3)12-9-21/h7-12,14,18,24-25,27,31,40H,4-6,13,15-17H2,1-3H3,(H,32,38)(H,33,37)(H,34,36)/t18-,24-,25-,27-/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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346735
(CHEMBL1798005)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H41N5O7/c1-6-18(4)27(33-29(38)26(31)17(2)3)30(39)35-15-20-13-23(42-16-25(36)34-40)10-7-19(20)14-24(35)28(37)32-21-8-11-22(41-5)12-9-21/h7-13,17-18,24,26-27,40H,6,14-16,31H2,1-5H3,(H,32,37)(H,33,38)(H,34,36)/t18-,24-,26-,27-/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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50346736
(CHEMBL1798007)Show SMILES CC[C@H](C)[C@@H](CN1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H42N4O7/c1-7-19(2)25(32-29(37)41-30(3,4)5)17-34-16-21-14-24(40-18-27(35)33-38)11-8-20(21)15-26(34)28(36)31-22-9-12-23(39-6)13-10-22/h8-14,19,25-26,38H,7,15-18H2,1-6H3,(H,31,36)(H,32,37)(H,33,35)/t19-,25+,26-/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 | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346737
(CHEMBL1797980)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C33H38N4O8/c1-33(2,3)45-32(41)35-27(16-21-8-6-5-7-9-21)31(40)37-19-23-17-26(44-20-29(38)36-42)13-10-22(23)18-28(37)30(39)34-24-11-14-25(43-4)15-12-24/h5-15,17,27-28,42H,16,18-20H2,1-4H3,(H,34,39)(H,35,41)(H,36,38)/t27-,28-/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 | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346738
(CHEMBL1797986)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 |r| Show InChI InChI=1S/C29H38N4O8/c1-17(2)25(31-28(37)41-29(3,4)5)27(36)33-15-19-13-22(40-16-24(34)32-38)10-7-18(19)14-23(33)26(35)30-20-8-11-21(39-6)12-9-20/h7-13,17,23,25,38H,14-16H2,1-6H3,(H,30,35)(H,31,37)(H,32,34)/t23-,25-/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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346739
(CHEMBL1797989)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)CCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H31N3O6/c1-37-24-14-11-23(12-15-24)30-29(35)26-17-21-10-13-25(38-19-27(33)31-36)16-22(21)18-32(26)28(34)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-16,26,36H,5,8-9,17-19H2,1H3,(H,30,35)(H,31,33)/t26-/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 | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50346740
(CHEMBL1798002)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C35H49N5O9/c1-9-21(4)30(37-32(43)29(20(2)3)38-34(45)49-35(5,6)7)33(44)40-18-23-16-26(48-19-28(41)39-46)13-10-22(23)17-27(40)31(42)36-24-11-14-25(47-8)15-12-24/h10-16,20-21,27,29-30,46H,9,17-19H2,1-8H3,(H,36,42)(H,37,43)(H,38,45)(H,39,41)/t21-,27-,29-,30-/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 | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346734
(CHEMBL1797983)Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H40N4O8/c1-7-18(2)26(32-29(38)42-30(3,4)5)28(37)34-16-20-14-23(41-17-25(35)33-39)11-8-19(20)15-24(34)27(36)31-21-9-12-22(40-6)13-10-21/h8-14,18,24,26,39H,7,15-17H2,1-6H3,(H,31,36)(H,32,38)(H,33,35)/t18-,24-,26-/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 | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346741
(CHEMBL1797987)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C27H27N3O6/c1-35-22-11-8-21(9-12-22)28-27(33)24-15-19-7-10-23(36-17-25(31)29-34)14-20(19)16-30(24)26(32)13-18-5-3-2-4-6-18/h2-12,14,24,34H,13,15-17H2,1H3,(H,28,33)(H,29,31)/t24-/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 | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50346742
(CHEMBL1798001)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C35H47N5O9/c1-7-21(2)30(37-31(42)27-9-8-16-39(27)34(45)49-35(3,4)5)33(44)40-19-23-17-26(48-20-29(41)38-46)13-10-22(23)18-28(40)32(43)36-24-11-14-25(47-6)15-12-24/h10-15,17,21,27-28,30,46H,7-9,16,18-20H2,1-6H3,(H,36,43)(H,37,42)(H,38,41)/t21-,27-,28-,30-/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 | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346743
(CHEMBL1798003)Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C36H49N5O9/c1-7-22(2)31(38-32(43)23-14-16-40(17-15-23)35(46)50-36(3,4)5)34(45)41-20-25-18-28(49-21-30(42)39-47)11-8-24(25)19-29(41)33(44)37-26-9-12-27(48-6)13-10-26/h8-13,18,22-23,29,31,47H,7,14-17,19-21H2,1-6H3,(H,37,44)(H,38,43)(H,39,42)/t22-,29-,31-/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 | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50346744
(CHEMBL1798008)Show SMILES CC[C@H](C)[C@@H](CN1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1)NC(=O)CC(C)(C)C |r| Show InChI InChI=1S/C31H44N4O6/c1-7-20(2)26(33-28(36)16-31(3,4)5)18-35-17-22-14-25(41-19-29(37)34-39)11-8-21(22)15-27(35)30(38)32-23-9-12-24(40-6)13-10-23/h8-14,20,26-27,39H,7,15-19H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)/t20-,26+,27-/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 | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50346735
(CHEMBL1798005)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H41N5O7/c1-6-18(4)27(33-29(38)26(31)17(2)3)30(39)35-15-20-13-23(42-16-25(36)34-40)10-7-19(20)14-24(35)28(37)32-21-8-11-22(41-5)12-9-21/h7-13,17-18,24,26-27,40H,6,14-16,31H2,1-5H3,(H,32,37)(H,33,38)(H,34,36)/t18-,24-,26-,27-/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 | 163 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346745
(CHEMBL1797984)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C30H40N4O8/c1-18(2)13-24(32-29(38)42-30(3,4)5)28(37)34-16-20-14-23(41-17-26(35)33-39)10-7-19(20)15-25(34)27(36)31-21-8-11-22(40-6)12-9-21/h7-12,14,18,24-25,39H,13,15-17H2,1-6H3,(H,31,36)(H,32,38)(H,33,35)/t24-,25-/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 | 163 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50346743
(CHEMBL1798003)Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C36H49N5O9/c1-7-22(2)31(38-32(43)23-14-16-40(17-15-23)35(46)50-36(3,4)5)34(45)41-20-25-18-28(49-21-30(42)39-47)11-8-24(25)19-29(41)33(44)37-26-9-12-27(48-6)13-10-26/h8-13,18,22-23,29,31,47H,7,14-17,19-21H2,1-6H3,(H,37,44)(H,38,43)(H,39,42)/t22-,29-,31-/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 | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346746
(CHEMBL1797988)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H25N3O6/c1-34-21-11-8-20(9-12-21)27-25(31)23-14-18-7-10-22(35-16-24(30)28-33)13-19(18)15-29(23)26(32)17-5-3-2-4-6-17/h2-13,23,33H,14-16H2,1H3,(H,27,31)(H,28,30)/t23-/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 | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50346747
(CHEMBL1798006)Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCNCC1)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H41N5O7/c1-4-19(2)28(34-29(38)20-11-13-32-14-12-20)31(40)36-17-22-15-25(43-18-27(37)35-41)8-5-21(22)16-26(36)30(39)33-23-6-9-24(42-3)10-7-23/h5-10,15,19-20,26,28,32,41H,4,11-14,16-18H2,1-3H3,(H,33,39)(H,34,38)(H,35,37)/t19-,26-,28-/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 | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346748
(CHEMBL1797981)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C33H38N4O9/c1-33(2,3)46-32(42)35-27(15-20-5-10-24(38)11-6-20)31(41)37-18-22-16-26(45-19-29(39)36-43)12-7-21(22)17-28(37)30(40)34-23-8-13-25(44-4)14-9-23/h5-14,16,27-28,38,43H,15,17-19H2,1-4H3,(H,34,40)(H,35,42)(H,36,39)/t27-,28-/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 | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346749
(CHEMBL1797985)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C27H34N4O8/c1-16(28-26(35)39-27(2,3)4)25(34)31-14-18-12-21(38-15-23(32)30-36)9-6-17(18)13-22(31)24(33)29-19-7-10-20(37-5)11-8-19/h6-12,16,22,36H,13-15H2,1-5H3,(H,28,35)(H,29,33)(H,30,32)/t16-,22-/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 | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50346733
(CHEMBL1798004)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H39N5O7/c1-4-18(2)27(33-28(37)24-6-5-13-31-24)30(39)35-16-20-14-23(42-17-26(36)34-40)10-7-19(20)15-25(35)29(38)32-21-8-11-22(41-3)12-9-21/h7-12,14,18,24-25,27,31,40H,4-6,13,15-17H2,1-3H3,(H,32,38)(H,33,37)(H,34,36)/t18-,24-,25-,27-/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 | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346742
(CHEMBL1798001)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C35H47N5O9/c1-7-21(2)30(37-31(42)27-9-8-16-39(27)34(45)49-35(3,4)5)33(44)40-19-23-17-26(48-20-29(41)38-46)13-10-22(23)18-28(40)32(43)36-24-11-14-25(47-6)15-12-24/h10-15,17,21,27-28,30,46H,7-9,16,18-20H2,1-6H3,(H,36,43)(H,37,42)(H,38,41)/t21-,27-,28-,30-/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 | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346740
(CHEMBL1798002)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C35H49N5O9/c1-9-21(4)30(37-32(43)29(20(2)3)38-34(45)49-35(5,6)7)33(44)40-18-23-16-26(48-19-28(41)39-46)13-10-22(23)17-27(40)31(42)36-24-11-14-25(47-8)15-12-24/h10-16,20-21,27,29-30,46H,9,17-19H2,1-8H3,(H,36,42)(H,37,43)(H,38,45)(H,39,41)/t21-,27-,29-,30-/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 | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346750
(CHEMBL1797982)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C29H36N4O8/c1-29(2,3)41-28(37)32-13-5-6-23(32)27(36)33-16-19-14-22(40-17-25(34)31-38)10-7-18(19)15-24(33)26(35)30-20-8-11-21(39-4)12-9-20/h7-12,14,23-24,38H,5-6,13,15-17H2,1-4H3,(H,30,35)(H,31,34)/t23-,24-/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 | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346736
(CHEMBL1798007)Show SMILES CC[C@H](C)[C@@H](CN1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H42N4O7/c1-7-19(2)25(32-29(37)41-30(3,4)5)17-34-16-21-14-24(40-18-27(35)33-38)11-8-20(21)15-26(34)28(36)31-22-9-12-23(39-6)13-10-22/h8-14,19,25-26,38H,7,15-18H2,1-6H3,(H,31,36)(H,32,37)(H,33,35)/t19-,25+,26-/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 | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346744
(CHEMBL1798008)Show SMILES CC[C@H](C)[C@@H](CN1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1)NC(=O)CC(C)(C)C |r| Show InChI InChI=1S/C31H44N4O6/c1-7-20(2)26(33-28(36)16-31(3,4)5)18-35-17-22-14-25(41-19-29(37)34-39)11-8-21(22)15-27(35)30(38)32-23-9-12-24(40-6)13-10-23/h8-14,20,26-27,39H,7,15-19H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)/t20-,26+,27-/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 | 333 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346751
(CHEMBL1797991)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H](N)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H30N4O6/c1-37-22-11-8-21(9-12-22)30-27(34)25-15-19-7-10-23(38-17-26(33)31-36)14-20(19)16-32(25)28(35)24(29)13-18-5-3-2-4-6-18/h2-12,14,24-25,36H,13,15-17,29H2,1H3,(H,30,34)(H,31,33)/t24-,25-/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 | 368 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346752
(CHEMBL1797993)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H]2CCCN2)cc1 |r| Show InChI InChI=1S/C24H28N4O6/c1-33-18-8-5-17(6-9-18)26-23(30)21-12-15-4-7-19(34-14-22(29)27-32)11-16(15)13-28(21)24(31)20-3-2-10-25-20/h4-9,11,20-21,25,32H,2-3,10,12-14H2,1H3,(H,26,30)(H,27,29)/t20-,21-/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 | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346753
(CHEMBL1797976)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)CCc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H29N3O6/c1-36-23-12-9-22(10-13-23)29-28(34)25-16-20-8-11-24(37-18-26(32)30-35)15-21(20)17-31(25)27(33)14-7-19-5-3-2-4-6-19/h2-6,8-13,15,25,35H,7,14,16-18H2,1H3,(H,29,34)(H,30,32)/t25-/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 | 502 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346754
(CHEMBL1797979)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)CNC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C26H32N4O8/c1-26(2,3)38-25(34)27-13-23(32)30-14-17-11-20(37-15-22(31)29-35)8-5-16(17)12-21(30)24(33)28-18-6-9-19(36-4)10-7-18/h5-11,21,35H,12-15H2,1-4H3,(H,27,34)(H,28,33)(H,29,31)/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 | 514 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346755
(CHEMBL1797992)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H](N)Cc2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C28H30N4O7/c1-38-22-10-5-20(6-11-22)30-27(35)25-14-18-4-9-23(39-16-26(34)31-37)13-19(18)15-32(25)28(36)24(29)12-17-2-7-21(33)8-3-17/h2-11,13,24-25,33,37H,12,14-16,29H2,1H3,(H,30,35)(H,31,34)/t24-,25-/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 | 634 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346756
(CHEMBL1797995)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H](N)CC(C)C)cc1 |r| Show InChI InChI=1S/C25H32N4O6/c1-15(2)10-21(26)25(32)29-13-17-11-20(35-14-23(30)28-33)7-4-16(17)12-22(29)24(31)27-18-5-8-19(34-3)9-6-18/h4-9,11,15,21-22,33H,10,12-14,26H2,1-3H3,(H,27,31)(H,28,30)/t21-,22-/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 | 675 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346757
(CHEMBL1797977)Show SMILES ONC(=O)COc1ccc2C[C@H](N(Cc2c1)C(=O)CCc1ccccc1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C29H31N3O5/c33-27(31-36)20-37-25-13-12-23-18-26(29(35)30-16-15-22-9-5-2-6-10-22)32(19-24(23)17-25)28(34)14-11-21-7-3-1-4-8-21/h1-10,12-13,17,26,36H,11,14-16,18-20H2,(H,30,35)(H,31,33)/t26-/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 | 692 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346758
(CHEMBL1797978)Show SMILES ONC(=O)COc1ccc2C[C@H](N(Cc2c1)C(=O)CCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C27H27N3O5/c31-25(29-34)18-35-23-13-12-20-16-24(27(33)28-22-9-5-2-6-10-22)30(17-21(20)15-23)26(32)14-11-19-7-3-1-4-8-19/h1-10,12-13,15,24,34H,11,14,16-18H2,(H,28,33)(H,29,31)/t24-/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 | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346759
(CHEMBL1797997)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H](N)C(C)C)cc1 |r| Show InChI InChI=1S/C24H30N4O6/c1-14(2)22(25)24(31)28-12-16-10-19(34-13-21(29)27-32)7-4-15(16)11-20(28)23(30)26-17-5-8-18(33-3)9-6-17/h4-10,14,20,22,32H,11-13,25H2,1-3H3,(H,26,30)(H,27,29)/t20-,22-/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 | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346760
(CHEMBL1797998)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2CCc2ccccc2)cc1 |r| Show InChI InChI=1S/C27H29N3O5/c1-34-23-11-8-22(9-12-23)28-27(32)25-16-20-7-10-24(35-18-26(31)29-33)15-21(20)17-30(25)14-13-19-5-3-2-4-6-19/h2-12,15,25,33H,13-14,16-18H2,1H3,(H,28,32)(H,29,31)/t25-/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 | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346761
(CHEMBL1797994)Show SMILES CC[C@H](C)[C@H](N)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C25H32N4O6/c1-4-15(2)23(26)25(32)29-13-17-11-20(35-14-22(30)28-33)8-5-16(17)12-21(29)24(31)27-18-6-9-19(34-3)10-7-18/h5-11,15,21,23,33H,4,12-14,26H2,1-3H3,(H,27,31)(H,28,30)/t15-,21-,23-/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 | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346762
(CHEMBL1797996)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@H](C)N)cc1 |r| Show InChI InChI=1S/C22H26N4O6/c1-13(23)22(29)26-11-15-9-18(32-12-20(27)25-30)6-3-14(15)10-19(26)21(28)24-16-4-7-17(31-2)8-5-16/h3-9,13,19,30H,10-12,23H2,1-2H3,(H,24,28)(H,25,27)/t13-,19-/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 | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346747
(CHEMBL1798006)Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCNCC1)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H41N5O7/c1-4-19(2)28(34-29(38)20-11-13-32-14-12-20)31(40)36-17-22-15-25(43-18-27(37)35-41)8-5-21(22)16-26(36)30(39)33-23-6-9-24(42-3)10-7-23/h5-10,15,19-20,26,28,32,41H,4,11-14,16-18H2,1-3H3,(H,33,39)(H,34,38)(H,35,37)/t19-,26-,28-/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 | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346763
(CHEMBL1798000)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2CCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H31N3O5/c1-35-24-13-10-23(11-14-24)29-28(33)26-17-21-9-12-25(36-19-27(32)30-34)16-22(21)18-31(26)15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,26,34H,5,8,15,17-19H2,1H3,(H,29,33)(H,30,32)/t26-/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 | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346764
(CHEMBL1797999)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C26H27N3O5/c1-33-22-11-8-21(9-12-22)27-26(31)24-14-19-7-10-23(34-17-25(30)28-32)13-20(19)16-29(24)15-18-5-3-2-4-6-18/h2-13,24,32H,14-17H2,1H3,(H,27,31)(H,28,30)/t24-/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 | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50346765
(CHEMBL1797990)Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)CN)cc1 |r| Show InChI InChI=1S/C21H24N4O6/c1-30-16-6-3-15(4-7-16)23-21(28)18-9-13-2-5-17(31-12-19(26)24-29)8-14(13)11-25(18)20(27)10-22/h2-8,18,29H,9-12,22H2,1H3,(H,23,28)(H,24,26)/t18-/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 | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 30 mins by fluorescence microplate reader |
J Med Chem 54: 2823-38 (2011)
Article DOI: 10.1021/jm101605z
BindingDB Entry DOI: 10.7270/Q2154HDR |
More data for this
Ligand-Target Pair | |
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