Found 5 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)' and Ligand = 'BDBM50244778' 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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50244778
(CHEMBL4086442)Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/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 | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 2589-2603 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00136
BindingDB Entry DOI: 10.7270/Q2QJ7KP9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50244778
(CHEMBL4086442)Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/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 | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi... |
J Med Chem 61: 2589-2603 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00136
BindingDB Entry DOI: 10.7270/Q2QJ7KP9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50244778
(CHEMBL4086442)Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/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 | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi... |
J Med Chem 61: 2589-2603 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00136
BindingDB Entry DOI: 10.7270/Q2QJ7KP9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50244778
(CHEMBL4086442)Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi... |
J Med Chem 61: 2589-2603 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00136
BindingDB Entry DOI: 10.7270/Q2QJ7KP9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50244778
(CHEMBL4086442)Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi... |
J Med Chem 61: 2589-2603 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00136
BindingDB Entry DOI: 10.7270/Q2QJ7KP9 |
More data for this
Ligand-Target Pair | |
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