Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50000187 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)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substr... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC10 (1 to 481 residues) expressed in baculovirus infected Sf9 insect cells using B... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 i... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 m... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50242139
(CHEMBL4078721)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC10 (1 to 481 residues) expressed in baculovirus infected Sf9 insect cells using B... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50242138
(CHEMBL4099942)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,22+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC10 (1 to 481 residues) expressed in baculovirus infected Sf9 insect cells using B... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50242138
(CHEMBL4099942)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substr... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50242138
(CHEMBL4099942)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 i... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50242139
(CHEMBL4078721)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substr... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 after 30 mins b... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50242139
(CHEMBL4078721)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 i... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50242138
(CHEMBL4099942)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 m... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50242139
(CHEMBL4078721)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 m... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 insect cells using BPS HDAC class 2a substrate afte... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50242138
(CHEMBL4099942)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 after 30 mins b... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50242139
(CHEMBL4078721)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 after 30 mins b... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50242138
(CHEMBL4099942)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 insect cells using BPS HDAC class 2a substrate afte... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50242140
(CHEMBL4089042)Show SMILES CCC(=O)CC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:20| Show InChI InChI=1S/C24H32N4O5S2/c1-5-15(29)8-6-7-9-16-10-18(30)25-11-19-26-17(12-34-19)21-28-24(4,13-35-21)23(32)27-20(14(2)3)22(31)33-16/h7,9,12,14,16,20H,5-6,8,10-11,13H2,1-4H3,(H,25,30)(H,27,32)/b9-7+/t16-,20+,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 i... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50242139
(CHEMBL4078721)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/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 | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description
Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 insect cells using BPS HDAC class 2a substrate afte... |
Bioorg Med Chem 25: 3077-3086 (2017)
Article DOI: 10.1016/j.bmc.2017.03.071
BindingDB Entry DOI: 10.7270/Q2M047MP |
More data for this
Ligand-Target Pair | |
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