BDBM50137828 6-(5-Hydroxy-6-morpholin-4-ylmethyl-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoic acid (2-amino-phenyl)-amide::CHEMBL97629
SMILES: Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(CN4CCOCC4)c(O)cc(C1=O)c23
InChI Key: InChIKey=VWKDCEXMEJBCJZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50137828 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
(Homo sapiens (Human)) | BDBM50137828
(6-(5-Hydroxy-6-morpholin-4-ylmethyl-1,3-dioxo-1H,3...)Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(CN4CCOCC4)c(O)cc(C1=O)c23 Show InChI InChI=1S/C29H32N4O5/c30-23-9-3-4-10-24(23)31-26(35)11-2-1-5-12-33-28(36)20-8-6-7-19-22(18-32-13-15-38-16-14-32)25(34)17-21(27(19)20)29(33)37/h3-4,6-10,17,34H,1-2,5,11-16,18,30H2,(H,31,35) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description Effect on induced hyperacetylation of histones in whole cells |
Bioorg Med Chem Lett 14: 283-7 (2003)
BindingDB Entry DOI: 10.7270/Q2BV7G17 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50137828
(6-(5-Hydroxy-6-morpholin-4-ylmethyl-1,3-dioxo-1H,3...)Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(CN4CCOCC4)c(O)cc(C1=O)c23 Show InChI InChI=1S/C29H32N4O5/c30-23-9-3-4-10-24(23)31-26(35)11-2-1-5-12-33-28(36)20-8-6-7-19-22(18-32-13-15-38-16-14-32)25(34)17-21(27(19)20)29(33)37/h3-4,6-10,17,34H,1-2,5,11-16,18,30H2,(H,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1). |
Bioorg Med Chem Lett 14: 283-7 (2003)
BindingDB Entry DOI: 10.7270/Q2BV7G17 |
More data for this Ligand-Target Pair | |