Found 21 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 4
(Homo sapiens (Human)) | BDBM50222732
((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...)Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C30H39N5O4S2/c1-30(2)29(39)33-23(20-21-12-5-3-6-13-21)28(38)35-18-11-15-24(35)27(37)32-22(26(36)34-30)14-7-4-10-19-40-41-25-16-8-9-17-31-25/h3,5-6,8-9,12-13,16-17,22-24H,4,7,10-11,14-15,18-20H2,1-2H3,(H,32,37)(H,33,39)(H,34,36)/t22-,23-,24+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50223507
((1R,14S,20R,23S)-23-[5-(Pyridin-2-yldisulfanyl)-pe...)Show SMILES O=C1N[C@@H](CCCCCSSc2ccccn2)C(=O)N[C@@H]2CCCCCCCCCCCC[C@H](NC2=O)C(=O)N2CCC[C@H]12 Show InChI InChI=1S/C33H51N5O4S2/c39-30-26(18-12-9-15-24-43-44-29-21-13-14-22-34-29)36-32(41)28-20-16-23-38(28)33(42)27-19-11-8-6-4-2-1-3-5-7-10-17-25(35-30)31(40)37-27/h13-14,21-22,25-28H,1-12,15-20,23-24H2,(H,35,39)(H,36,41)(H,37,40)/t25-,26+,27+,28-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50223505
((5S,11S,13aR)-5-((S)-sec-butyl)-8,8-dimethyl-11-[5...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-5-18(2)22-25(35)32-16-11-13-20(32)24(34)29-19(23(33)31-27(3,4)26(36)30-22)12-7-6-10-17-37-38-21-14-8-9-15-28-21/h8-9,14-15,18-20,22H,5-7,10-13,16-17H2,1-4H3,(H,29,34)(H,30,36)(H,31,33)/t18-,19-,20+,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50223506
((5S,11S,13aR)-5-butyl-8,8-dimethyl-11-[5-(pyridin-...)Show SMILES CCCC[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-4-5-12-20-25(35)32-17-11-14-21(32)24(34)29-19(23(33)31-27(2,3)26(36)30-20)13-7-6-10-18-37-38-22-15-8-9-16-28-22/h8-9,15-16,19-21H,4-7,10-14,17-18H2,1-3H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50223504
((5S,11S,13aR)-5-isobutyl-8,8-dimethyl-11-[5-(pyrid...)Show SMILES CC(C)C[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-18(2)17-20-25(35)32-15-10-12-21(32)24(34)29-19(23(33)31-27(3,4)26(36)30-20)11-6-5-9-16-37-38-22-13-7-8-14-28-22/h7-8,13-14,18-21H,5-6,9-12,15-17H2,1-4H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50223507
((1R,14S,20R,23S)-23-[5-(Pyridin-2-yldisulfanyl)-pe...)Show SMILES O=C1N[C@@H](CCCCCSSc2ccccn2)C(=O)N[C@@H]2CCCCCCCCCCCC[C@H](NC2=O)C(=O)N2CCC[C@H]12 Show InChI InChI=1S/C33H51N5O4S2/c39-30-26(18-12-9-15-24-43-44-29-21-13-14-22-34-29)36-32(41)28-20-16-23-38(28)33(42)27-19-11-8-6-4-2-1-3-5-7-10-17-25(35-30)31(40)37-27/h13-14,21-22,25-28H,1-12,15-20,23-24H2,(H,35,39)(H,36,41)(H,37,40)/t25-,26+,27+,28-/m1/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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50223505
((5S,11S,13aR)-5-((S)-sec-butyl)-8,8-dimethyl-11-[5...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-5-18(2)22-25(35)32-16-11-13-20(32)24(34)29-19(23(33)31-27(3,4)26(36)30-22)12-7-6-10-17-37-38-21-14-8-9-15-28-21/h8-9,14-15,18-20,22H,5-7,10-13,16-17H2,1-4H3,(H,29,34)(H,30,36)(H,31,33)/t18-,19-,20+,22-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50223506
((5S,11S,13aR)-5-butyl-8,8-dimethyl-11-[5-(pyridin-...)Show SMILES CCCC[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-4-5-12-20-25(35)32-17-11-14-21(32)24(34)29-19(23(33)31-27(2,3)26(36)30-20)13-7-6-10-18-37-38-22-15-8-9-16-28-22/h8-9,15-16,19-21H,4-7,10-14,17-18H2,1-3H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50222732
((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...)Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C30H39N5O4S2/c1-30(2)29(39)33-23(20-21-12-5-3-6-13-21)28(38)35-18-11-15-24(35)27(37)32-22(26(36)34-30)14-7-4-10-19-40-41-25-16-8-9-17-31-25/h3,5-6,8-9,12-13,16-17,22-24H,4,7,10-11,14-15,18-20H2,1-2H3,(H,32,37)(H,33,39)(H,34,36)/t22-,23-,24+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50222727
((5S,11S,13aR)-5,8,8-trimethyl-11-[5-(pyridin-2-yld...)Show SMILES C[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C24H35N5O4S2/c1-16-22(32)29-14-9-11-18(29)21(31)27-17(20(30)28-24(2,3)23(33)26-16)10-5-4-8-15-34-35-19-12-6-7-13-25-19/h6-7,12-13,16-18H,4-5,8-11,14-15H2,1-3H3,(H,26,33)(H,27,31)(H,28,30)/t16-,17-,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50223504
((5S,11S,13aR)-5-isobutyl-8,8-dimethyl-11-[5-(pyrid...)Show SMILES CC(C)C[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-18(2)17-20-25(35)32-15-10-12-21(32)24(34)29-19(23(33)31-27(3,4)26(36)30-20)11-6-5-9-16-37-38-22-13-7-8-14-28-22/h7-8,13-14,18-21H,5-6,9-12,15-17H2,1-4H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/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 | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50222727
((5S,11S,13aR)-5,8,8-trimethyl-11-[5-(pyridin-2-yld...)Show SMILES C[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C24H35N5O4S2/c1-16-22(32)29-14-9-11-18(29)21(31)27-17(20(30)28-24(2,3)23(33)26-16)10-5-4-8-15-34-35-19-12-6-7-13-25-19/h6-7,12-13,16-18H,4-5,8-11,14-15H2,1-3H3,(H,26,33)(H,27,31)(H,28,30)/t16-,17-,18+/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 | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(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
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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50223504
((5S,11S,13aR)-5-isobutyl-8,8-dimethyl-11-[5-(pyrid...)Show SMILES CC(C)C[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-18(2)17-20-25(35)32-15-10-12-21(32)24(34)29-19(23(33)31-27(3,4)26(36)30-20)11-6-5-9-16-37-38-22-13-7-8-14-28-22/h7-8,13-14,18-21H,5-6,9-12,15-17H2,1-4H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50223506
((5S,11S,13aR)-5-butyl-8,8-dimethyl-11-[5-(pyridin-...)Show SMILES CCCC[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-4-5-12-20-25(35)32-17-11-14-21(32)24(34)29-19(23(33)31-27(2,3)26(36)30-20)13-7-6-10-18-37-38-22-15-8-9-16-28-22/h8-9,15-16,19-21H,4-7,10-14,17-18H2,1-3H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50223505
((5S,11S,13aR)-5-((S)-sec-butyl)-8,8-dimethyl-11-[5...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-5-18(2)22-25(35)32-16-11-13-20(32)24(34)29-19(23(33)31-27(3,4)26(36)30-22)12-7-6-10-17-37-38-21-14-8-9-15-28-21/h8-9,14-15,18-20,22H,5-7,10-13,16-17H2,1-4H3,(H,29,34)(H,30,36)(H,31,33)/t18-,19-,20+,22-/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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50222732
((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...)Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C30H39N5O4S2/c1-30(2)29(39)33-23(20-21-12-5-3-6-13-21)28(38)35-18-11-15-24(35)27(37)32-22(26(36)34-30)14-7-4-10-19-40-41-25-16-8-9-17-31-25/h3,5-6,8-9,12-13,16-17,22-24H,4,7,10-11,14-15,18-20H2,1-2H3,(H,32,37)(H,33,39)(H,34,36)/t22-,23-,24+/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 | 404 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50222727
((5S,11S,13aR)-5,8,8-trimethyl-11-[5-(pyridin-2-yld...)Show SMILES C[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C24H35N5O4S2/c1-16-22(32)29-14-9-11-18(29)21(31)27-17(20(30)28-24(2,3)23(33)26-16)10-5-4-8-15-34-35-19-12-6-7-13-25-19/h6-7,12-13,16-18H,4-5,8-11,14-15H2,1-3H3,(H,26,33)(H,27,31)(H,28,30)/t16-,17-,18+/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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50223507
((1R,14S,20R,23S)-23-[5-(Pyridin-2-yldisulfanyl)-pe...)Show SMILES O=C1N[C@@H](CCCCCSSc2ccccn2)C(=O)N[C@@H]2CCCCCCCCCCCC[C@H](NC2=O)C(=O)N2CCC[C@H]12 Show InChI InChI=1S/C33H51N5O4S2/c39-30-26(18-12-9-15-24-43-44-29-21-13-14-22-34-29)36-32(41)28-20-16-23-38(28)33(42)27-19-11-8-6-4-2-1-3-5-7-10-17-25(35-30)31(40)37-27/h13-14,21-22,25-28H,1-12,15-20,23-24H2,(H,35,39)(H,36,41)(H,37,40)/t25-,26+,27+,28-/m1/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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 expressed in 293T cells |
Bioorg Med Chem 16: 437-45 (2008)
Article DOI: 10.1016/j.bmc.2007.09.021
BindingDB Entry DOI: 10.7270/Q2RJ4J77 |
More data for this
Ligand-Target Pair | |
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