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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

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50137828   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Histone deacetylase


(Homo sapiens (Human))
BDBM50137828
PNG
(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

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL




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
PNG
(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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 500n/an/an/an/an/an/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