Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50040430 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 1
(Homo sapiens (Human)) | BDBM19151
((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...)Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |r,t:12| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50394110
(CHEMBL2158742)Show SMILES O=C1N[C@H]2CCCCCSSCCOCC[C@@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C27H38N4O5S2/c32-24-20-10-5-2-6-16-37-38-17-15-36-14-12-21(28-24)25(33)30-22(18-19-8-3-1-4-9-19)27(35)31-13-7-11-23(31)26(34)29-20/h1,3-4,8-9,20-23H,2,5-7,10-18H2,(H,28,32)(H,29,34)(H,30,33)/t20-,21+,22-,23+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50394110
(CHEMBL2158742)Show SMILES O=C1N[C@H]2CCCCCSSCCOCC[C@@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C27H38N4O5S2/c32-24-20-10-5-2-6-16-37-38-17-15-36-14-12-21(28-24)25(33)30-22(18-19-8-3-1-4-9-19)27(35)31-13-7-11-23(31)26(34)29-20/h1,3-4,8-9,20-23H,2,5-7,10-18H2,(H,28,32)(H,29,34)(H,30,33)/t20-,21+,22-,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 | 10 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
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 | 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 HDAC1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
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 | 34 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19151
((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...)Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |r,t:12| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 36 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
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 | 65 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50394107
(CHEMBL2158741)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCOCCSC(C)=O)NC1=O |r| Show InChI InChI=1S/C31H44N4O7S2/c1-21(36)43-18-8-4-7-12-24-28(38)32-25(14-16-42-17-19-44-22(2)37)29(39)34-26(20-23-10-5-3-6-11-23)31(41)35-15-9-13-27(35)30(40)33-24/h3,5-6,10-11,24-27H,4,7-9,12-20H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/t24-,25+,26-,27+/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 | 99 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50394109
(CHEMBL2158743)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C27H44N4O6S2/c1-18(32)38-16-9-5-7-12-20-23(34)30-27(3,4)26(37)29-21(13-8-6-10-17-39-19(2)33)25(36)31-15-11-14-22(31)24(35)28-20/h20-22H,5-17H2,1-4H3,(H,28,35)(H,29,37)(H,30,34)/t20-,21-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50394108
(CHEMBL2158744)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCOCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C26H42N4O7S2/c1-17(31)38-15-7-5-6-9-19-22(33)29-26(3,4)25(36)28-20(11-13-37-14-16-39-18(2)32)24(35)30-12-8-10-21(30)23(34)27-19/h19-21H,5-16H2,1-4H3,(H,27,34)(H,28,36)(H,29,33)/t19-,20-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50394109
(CHEMBL2158743)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C27H44N4O6S2/c1-18(32)38-16-9-5-7-12-20-23(34)30-27(3,4)26(37)29-21(13-8-6-10-17-39-19(2)33)25(36)31-15-11-14-22(31)24(35)28-20/h20-22H,5-17H2,1-4H3,(H,28,35)(H,29,37)(H,30,34)/t20-,21-,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
| Article
PubMed
| n/a | n/a | 150 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50394107
(CHEMBL2158741)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCOCCSC(C)=O)NC1=O |r| Show InChI InChI=1S/C31H44N4O7S2/c1-21(36)43-18-8-4-7-12-24-28(38)32-25(14-16-42-17-19-44-22(2)37)29(39)34-26(20-23-10-5-3-6-11-23)31(41)35-15-9-13-27(35)30(40)33-24/h3,5-6,10-11,24-27H,4,7-9,12-20H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/t24-,25+,26-,27+/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 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50394108
(CHEMBL2158744)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCOCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C26H42N4O7S2/c1-17(31)38-15-7-5-6-9-19-22(33)29-26(3,4)25(36)28-20(11-13-37-14-16-39-18(2)32)24(35)30-12-8-10-21(30)23(34)27-19/h19-21H,5-16H2,1-4H3,(H,27,34)(H,28,36)(H,29,33)/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
| Article
PubMed
| n/a | n/a | 210 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50394110
(CHEMBL2158742)Show SMILES O=C1N[C@H]2CCCCCSSCCOCC[C@@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C27H38N4O5S2/c32-24-20-10-5-2-6-16-37-38-17-15-36-14-12-21(28-24)25(33)30-22(18-19-8-3-1-4-9-19)27(35)31-13-7-11-23(31)26(34)29-20/h1,3-4,8-9,20-23H,2,5-7,10-18H2,(H,28,32)(H,29,34)(H,30,33)/t20-,21+,22-,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 | 330 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19151
((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...)Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |r,t:12| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 510 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19151
((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...)Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |r,t:12| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 620 | 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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50394108
(CHEMBL2158744)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCOCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C26H42N4O7S2/c1-17(31)38-15-7-5-6-9-19-22(33)29-26(3,4)25(36)28-20(11-13-37-14-16-39-18(2)32)24(35)30-12-8-10-21(30)23(34)27-19/h19-21H,5-16H2,1-4H3,(H,27,34)(H,28,36)(H,29,33)/t19-,20-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50394107
(CHEMBL2158741)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCOCCSC(C)=O)NC1=O |r| Show InChI InChI=1S/C31H44N4O7S2/c1-21(36)43-18-8-4-7-12-24-28(38)32-25(14-16-42-17-19-44-22(2)37)29(39)34-26(20-23-10-5-3-6-11-23)31(41)35-15-9-13-27(35)30(40)33-24/h3,5-6,10-11,24-27H,4,7-9,12-20H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/t24-,25+,26-,27+/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 | 990 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50394109
(CHEMBL2158743)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C27H44N4O6S2/c1-18(32)38-16-9-5-7-12-20-23(34)30-27(3,4)26(37)29-21(13-8-6-10-17-39-19(2)33)25(36)31-15-11-14-22(31)24(35)28-20/h20-22H,5-17H2,1-4H3,(H,28,35)(H,29,37)(H,30,34)/t20-,21-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+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 HDAC4 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50394109
(CHEMBL2158743)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C27H44N4O6S2/c1-18(32)38-16-9-5-7-12-20-23(34)30-27(3,4)26(37)29-21(13-8-6-10-17-39-19(2)33)25(36)31-15-11-14-22(31)24(35)28-20/h20-22H,5-17H2,1-4H3,(H,28,35)(H,29,37)(H,30,34)/t20-,21-,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
| Article
PubMed
| n/a | n/a | 1.70E+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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50394109
(CHEMBL2158743)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C27H44N4O6S2/c1-18(32)38-16-9-5-7-12-20-23(34)30-27(3,4)26(37)29-21(13-8-6-10-17-39-19(2)33)25(36)31-15-11-14-22(31)24(35)28-20/h20-22H,5-17H2,1-4H3,(H,28,35)(H,29,37)(H,30,34)/t20-,21-,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
| Article
PubMed
| n/a | n/a | 1.80E+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 HDAC1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50394108
(CHEMBL2158744)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCOCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C26H42N4O7S2/c1-17(31)38-15-7-5-6-9-19-22(33)29-26(3,4)25(36)28-20(11-13-37-14-16-39-18(2)32)24(35)30-12-8-10-21(30)23(34)27-19/h19-21H,5-16H2,1-4H3,(H,27,34)(H,28,36)(H,29,33)/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
| Article
PubMed
| n/a | n/a | 2.00E+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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50394107
(CHEMBL2158741)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCOCCSC(C)=O)NC1=O |r| Show InChI InChI=1S/C31H44N4O7S2/c1-21(36)43-18-8-4-7-12-24-28(38)32-25(14-16-42-17-19-44-22(2)37)29(39)34-26(20-23-10-5-3-6-11-23)31(41)35-15-9-13-27(35)30(40)33-24/h3,5-6,10-11,24-27H,4,7-9,12-20H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/t24-,25+,26-,27+/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 | 2.40E+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 HDAC1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50394108
(CHEMBL2158744)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCOCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C26H42N4O7S2/c1-17(31)38-15-7-5-6-9-19-22(33)29-26(3,4)25(36)28-20(11-13-37-14-16-39-18(2)32)24(35)30-12-8-10-21(30)23(34)27-19/h19-21H,5-16H2,1-4H3,(H,27,34)(H,28,36)(H,29,33)/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
| Article
PubMed
| n/a | n/a | 4.20E+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 HDAC1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50394107
(CHEMBL2158741)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCOCCSC(C)=O)NC1=O |r| Show InChI InChI=1S/C31H44N4O7S2/c1-21(36)43-18-8-4-7-12-24-28(38)32-25(14-16-42-17-19-44-22(2)37)29(39)34-26(20-23-10-5-3-6-11-23)31(41)35-15-9-13-27(35)30(40)33-24/h3,5-6,10-11,24-27H,4,7-9,12-20H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/t24-,25+,26-,27+/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 | 6.50E+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 by fluorimetric assay in presence of DTT |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50394108
(CHEMBL2158744)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCOCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C26H42N4O7S2/c1-17(31)38-15-7-5-6-9-19-22(33)29-26(3,4)25(36)28-20(11-13-37-14-16-39-18(2)32)24(35)30-12-8-10-21(30)23(34)27-19/h19-21H,5-16H2,1-4H3,(H,27,34)(H,28,36)(H,29,33)/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
| Article
PubMed
| n/a | n/a | 1.10E+4 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50394109
(CHEMBL2158743)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCSC(C)=O)NC(=O)C(C)(C)NC1=O |r| Show InChI InChI=1S/C27H44N4O6S2/c1-18(32)38-16-9-5-7-12-20-23(34)30-27(3,4)26(37)29-21(13-8-6-10-17-39-19(2)33)25(36)31-15-11-14-22(31)24(35)28-20/h20-22H,5-17H2,1-4H3,(H,28,35)(H,29,37)(H,30,34)/t20-,21-,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
| Article
PubMed
| n/a | n/a | 1.20E+4 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50394107
(CHEMBL2158741)Show SMILES CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCOCCSC(C)=O)NC1=O |r| Show InChI InChI=1S/C31H44N4O7S2/c1-21(36)43-18-8-4-7-12-24-28(38)32-25(14-16-42-17-19-44-22(2)37)29(39)34-26(20-23-10-5-3-6-11-23)31(41)35-15-9-13-27(35)30(40)33-24/h3,5-6,10-11,24-27H,4,7-9,12-20H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/t24-,25+,26-,27+/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 | >1.00E+5 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50394110
(CHEMBL2158742)Show SMILES O=C1N[C@H]2CCCCCSSCCOCC[C@@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C27H38N4O5S2/c32-24-20-10-5-2-6-16-37-38-17-15-36-14-12-21(28-24)25(33)30-22(18-19-8-3-1-4-9-19)27(35)31-13-7-11-23(31)26(34)29-20/h1,3-4,8-9,20-23H,2,5-7,10-18H2,(H,28,32)(H,29,34)(H,30,33)/t20-,21+,22-,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 | >1.00E+5 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50394110
(CHEMBL2158742)Show SMILES O=C1N[C@H]2CCCCCSSCCOCC[C@@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C27H38N4O5S2/c32-24-20-10-5-2-6-16-37-38-17-15-36-14-12-21(28-24)25(33)30-22(18-19-8-3-1-4-9-19)27(35)31-13-7-11-23(31)26(34)29-20/h1,3-4,8-9,20-23H,2,5-7,10-18H2,(H,28,32)(H,29,34)(H,30,33)/t20-,21+,22-,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 | >1.00E+5 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50394110
(CHEMBL2158742)Show SMILES O=C1N[C@H]2CCCCCSSCCOCC[C@@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C27H38N4O5S2/c32-24-20-10-5-2-6-16-37-38-17-15-36-14-12-21(28-24)25(33)30-22(18-19-8-3-1-4-9-19)27(35)31-13-7-11-23(31)26(34)29-20/h1,3-4,8-9,20-23H,2,5-7,10-18H2,(H,28,32)(H,29,34)(H,30,33)/t20-,21+,22-,23+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19151
((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...)Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |r,t:12| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | 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 by fluorimetric assay |
Bioorg Med Chem Lett 22: 6770-2 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.004
BindingDB Entry DOI: 10.7270/Q26M37XT |
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Ligand-Target Pair | |
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