BindingDB logo
myBDB logout

BDBM50148623 CHEMBL3771355

SMILES: ONC(=O)c1coc(n1)-c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=ZPGZYUVXPSVMBR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50148623   
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))
BDBM50148623
PNG
(CHEMBL3771355)
Show SMILES ONC(=O)c1coc(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50148623
PNG
(CHEMBL3771355)
Show SMILES ONC(=O)c1coc(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50148623
PNG
(CHEMBL3771355)
Show SMILES ONC(=O)c1coc(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.91E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair