Found 6 hits for monomerid = 50242138 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
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 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
UniProtKB/TrEMBL
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
KEGG
UniProtKB/SwissProt
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 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 10
(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 | |
Cereblon/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
UniProtKB/TrEMBL
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 | |
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