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BDBM50319216 6-[3-(Naphthalene-2-carbonyl)-ureido]-hexanoic acid hydroxyamide::CHEMBL1085052

SMILES: ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=HPXNIWNVCNUTRT-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 = 50319216   
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))
BDBM50319216
PNG
(6-[3-(Naphthalene-2-carbonyl)-ureido]-hexanoic aci...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21N3O4/c22-16(21-25)8-2-1-5-11-19-18(24)20-17(23)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,25H,1-2,5,8,11H2,(H,21,22)(H2,19,20,23,24)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 6n/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))
BDBM50319216
PNG
(6-[3-(Naphthalene-2-carbonyl)-ureido]-hexanoic aci...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21N3O4/c22-16(21-25)8-2-1-5-11-19-18(24)20-17(23)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,25H,1-2,5,8,11H2,(H,21,22)(H2,19,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.15E+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