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BDBM50319213 6-[3-(4-Nitro-benzoyl)-ureido]-hexanoic acid hydroxyamide::CHEMBL1086266

SMILES: ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=KVLGBDQRHFSXJT-UHFFFAOYSA-N

Data: 2 IC50

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 = 50319213   
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 1


(Homo sapiens (Human))
BDBM50319213
PNG
(6-[3-(4-Nitro-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H18N4O6/c19-12(17-22)4-2-1-3-9-15-14(21)16-13(20)10-5-7-11(8-6-10)18(23)24/h5-8,22H,1-4,9H2,(H,17,19)(H2,15,16,20,21)
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/an/a 45n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319213
PNG
(6-[3-(4-Nitro-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H18N4O6/c19-12(17-22)4-2-1-3-9-15-14(21)16-13(20)10-5-7-11(8-6-10)18(23)24/h5-8,22H,1-4,9H2,(H,17,19)(H2,15,16,20,21)
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/an/a 2.31E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair