Found 33 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 1
(Homo sapiens (Human)) | BDBM50258551
((S)-N-hydroxy-7-(2-(5-methoxy-2-methyl-1H-indol-3-...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NO)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O4/c1-20-25(26-17-24(41-2)14-15-27(26)34-20)18-31(39)35-28(10-4-3-5-11-30(38)37-40)32-33-19-29(36-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,34,40H,3-5,10-11,18H2,1-2H3,(H,33,36)(H,35,39)(H,37,38)/t28-/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258625
((S)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-(2-...)Show SMILES OC(=O)CCCCC[C@H](NS(=O)(=O)c1ccccc1[N+]([O-])=O)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H26N4O6S/c31-25(32)13-3-1-2-10-21(29-37(35,36)24-12-7-6-11-23(24)30(33)34)26-27-17-22(28-26)20-15-14-18-8-4-5-9-19(18)16-20/h4-9,11-12,14-17,21,29H,1-3,10,13H2,(H,27,28)(H,31,32)/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258582
((S)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-(th...)Show SMILES OC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H24N4O3S/c29-22(30)9-3-1-2-8-19(28-24(31)21-14-25-15-32-21)23-26-13-20(27-23)18-11-10-16-6-4-5-7-17(16)12-18/h4-7,10-15,19H,1-3,8-9H2,(H,26,27)(H,28,31)(H,29,30)/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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25146
(2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc(c[nH]3)-c3ccccc3)c2c1 |r| Show InChI InChI=1S/C29H34N4O3/c1-19(34)10-6-4-9-13-26(29-30-18-27(33-29)21-11-7-5-8-12-21)32-28(35)17-23-20(2)31-25-15-14-22(36-3)16-24(23)25/h5,7-8,11-12,14-16,18,26,31H,4,6,9-10,13,17H2,1-3H3,(H,30,33)(H,32,35)/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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258549
((S)-2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(1-(5-(...)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C34H38N4O3/c1-4-26(39)12-6-5-7-13-31(34-35-21-32(38-34)25-15-14-23-10-8-9-11-24(23)18-25)37-33(40)20-28-22(2)36-30-17-16-27(41-3)19-29(28)30/h8-11,14-19,21,31,36H,4-7,12-13,20H2,1-3H3,(H,35,38)(H,37,40)/t31-/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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258550
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(O)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H34N4O4/c1-20-25(26-17-24(40-2)14-15-27(26)34-20)18-30(37)35-28(10-4-3-5-11-31(38)39)32-33-19-29(36-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,34H,3-5,10-11,18H2,1-2H3,(H,33,36)(H,35,37)(H,38,39)/t28-/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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258626
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258552
((S)-N-methoxy-7-(2-(5-methoxy-2-methyl-1H-indol-3-...)Show SMILES CONC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C33H37N5O4/c1-21-26(27-18-25(41-2)15-16-28(27)35-21)19-32(40)36-29(11-5-4-6-12-31(39)38-42-3)33-34-20-30(37-33)24-14-13-22-9-7-8-10-23(22)17-24/h7-10,13-18,20,29,35H,4-6,11-12,19H2,1-3H3,(H,34,37)(H,36,40)(H,38,39)/t29-/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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258624
((S)-7-(1-methylpiperidine-4-carboxamido)-7-(5-(nap...)Show SMILES CN1CCC(CC1)C(=O)N[C@@H](CCCCCC(O)=O)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H34N4O3/c1-31-15-13-20(14-16-31)27(34)30-23(9-3-2-4-10-25(32)33)26-28-18-24(29-26)22-12-11-19-7-5-6-8-21(19)17-22/h5-8,11-12,17-18,20,23H,2-4,9-10,13-16H2,1H3,(H,28,29)(H,30,34)(H,32,33)/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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258584
((S)-7-((S)-1-methylpyrrolidine-3-carboxamido)-7-(5...)Show SMILES CN1CC[C@@H](C1)C(=O)N[C@@H](CCCCCC(O)=O)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H32N4O3/c1-30-14-13-21(17-30)26(33)29-22(9-3-2-4-10-24(31)32)25-27-16-23(28-25)20-12-11-18-7-5-6-8-19(18)15-20/h5-8,11-12,15-16,21-22H,2-4,9-10,13-14,17H2,1H3,(H,27,28)(H,29,33)(H,31,32)/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC6 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258553
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NS(C)(=O)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C33H37N5O5S/c1-21-26(27-18-25(43-2)15-16-28(27)35-21)19-32(40)36-29(11-5-4-6-12-31(39)38-44(3,41)42)33-34-20-30(37-33)24-14-13-22-9-7-8-10-23(22)17-24/h7-10,13-18,20,29,35H,4-6,11-12,19H2,1-3H3,(H,34,37)(H,36,40)(H,38,39)/t29-/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 |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(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
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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC3 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258627
((S)-N-ethyl-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl...)Show SMILES CCNC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C34H39N5O3/c1-4-35-32(40)13-7-5-6-12-30(34-36-21-31(39-34)25-15-14-23-10-8-9-11-24(23)18-25)38-33(41)20-27-22(2)37-29-17-16-26(42-3)19-28(27)29/h8-11,14-19,21,30,37H,4-7,12-13,20H2,1-3H3,(H,35,40)(H,36,39)(H,38,41)/t30-/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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258583
((S)-7-((R)-1-methylpyrrolidine-3-carboxamido)-7-(5...)Show SMILES CN1CC[C@H](C1)C(=O)N[C@@H](CCCCCC(O)=O)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H32N4O3/c1-30-14-13-21(17-30)26(33)29-22(9-3-2-4-10-24(31)32)25-27-16-23(28-25)20-12-11-18-7-5-6-8-19(18)15-20/h5-8,11-12,15-16,21-22H,2-4,9-10,13-14,17H2,1H3,(H,27,28)(H,29,33)(H,31,32)/t21-,22+/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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(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
PDB
Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC2 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258554
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NS(=O)(=O)C(F)(F)F)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C33H34F3N5O5S/c1-20-25(26-17-24(46-2)14-15-27(26)38-20)18-31(43)39-28(10-4-3-5-11-30(42)41-47(44,45)33(34,35)36)32-37-19-29(40-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,38H,3-5,10-11,18H2,1-2H3,(H,37,40)(H,39,43)(H,41,42)/t28-/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 |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258633
((S)-N-(2-aminophenyl)-7-(2-(5-methoxy-2-methyl-1H-...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)Nc3ccccc3N)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C38H40N6O3/c1-24-29(30-21-28(47-2)18-19-32(30)41-24)22-37(46)43-34(14-4-3-5-15-36(45)42-33-13-9-8-12-31(33)39)38-40-23-35(44-38)27-17-16-25-10-6-7-11-26(25)20-27/h6-13,16-21,23,34,41H,3-5,14-15,22,39H2,1-2H3,(H,40,44)(H,42,45)(H,43,46)/t34-/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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50258626
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC6 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258555
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C33H37N5O3/c1-21-26(27-18-25(41-3)15-16-28(27)36-21)19-32(40)37-29(11-5-4-6-12-31(39)34-2)33-35-20-30(38-33)24-14-13-22-9-7-8-10-23(22)17-24/h7-10,13-18,20,29,36H,4-6,11-12,19H2,1-3H3,(H,34,39)(H,35,38)(H,37,40)/t29-/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50258626
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC2 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258631
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)N(C)C)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C34H39N5O3/c1-22-27(28-19-26(42-4)16-17-29(28)36-22)20-32(40)37-30(12-6-5-7-13-33(41)39(2)3)34-35-21-31(38-34)25-15-14-23-10-8-9-11-24(23)18-25/h8-11,14-19,21,30,36H,5-7,12-13,20H2,1-4H3,(H,35,38)(H,37,40)/t30-/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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258630
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)Nc3ccccc3)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C38H39N5O3/c1-25-31(32-22-30(46-2)19-20-33(32)40-25)23-37(45)42-34(15-7-4-8-16-36(44)41-29-13-5-3-6-14-29)38-39-24-35(43-38)28-18-17-26-11-9-10-12-27(26)21-28/h3,5-6,9-14,17-22,24,34,40H,4,7-8,15-16,23H2,1-2H3,(H,39,43)(H,41,44)(H,42,45)/t34-/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258585
((S)-7-(N,N-dimethylsulfamoylamino)-7-(5-(naphthale...)Show SMILES CN(C)S(=O)(=O)N[C@@H](CCCCCC(O)=O)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H28N4O4S/c1-26(2)31(29,30)25-19(10-4-3-5-11-21(27)28)22-23-15-20(24-22)18-13-12-16-8-6-7-9-17(16)14-18/h6-9,12-15,19,25H,3-5,10-11H2,1-2H3,(H,23,24)(H,27,28)/t19-/m0/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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50258626
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/m0/s1 | PDB
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 |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC3 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258632
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)Nc3nncs3)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C34H35N7O3S/c1-21-26(27-17-25(44-2)14-15-28(27)37-21)18-32(43)38-29(10-4-3-5-11-31(42)40-34-41-36-20-45-34)33-35-19-30(39-33)24-13-12-22-8-6-7-9-23(22)16-24/h6-9,12-17,19-20,29,37H,3-5,10-11,18H2,1-2H3,(H,35,39)(H,38,43)(H,40,41,42)/t29-/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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258628
((S)-N-isopropyl-7-(2-(5-methoxy-2-methyl-1H-indol-...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NC(C)C)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C35H41N5O3/c1-22(2)37-33(41)13-7-5-6-12-31(35-36-21-32(40-35)26-15-14-24-10-8-9-11-25(24)18-26)39-34(42)20-28-23(3)38-30-17-16-27(43-4)19-29(28)30/h8-11,14-19,21-22,31,38H,5-7,12-13,20H2,1-4H3,(H,36,40)(H,37,41)(H,39,42)/t31-/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 | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258629
((S)-N-benzyl-7-(2-(5-methoxy-2-methyl-1H-indol-3-y...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NCc3ccccc3)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C39H41N5O3/c1-26-32(33-22-31(47-2)19-20-34(33)42-26)23-38(46)43-35(15-7-4-8-16-37(45)40-24-27-11-5-3-6-12-27)39-41-25-36(44-39)30-18-17-28-13-9-10-14-29(28)21-30/h3,5-6,9-14,17-22,25,35,42H,4,7-8,15-16,23-24H2,1-2H3,(H,40,45)(H,41,44)(H,43,46)/t35-/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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin) |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(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
MMDB
PDB
Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50258626
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(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
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged HDAC4 catalytic domain (unknown origin) expressed in Escherichia coli |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50258626
((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged HDAC4 catalytic domain (unknown origin) expressed in Escherichia coli |
Bioorg Med Chem Lett 19: 3081-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ |
More data for this
Ligand-Target Pair | |
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