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BDBM50246848 CHEMBL4061831

SMILES: ONC(=O)c1ccc(F)c(NCc2ccccc2)c1

InChI Key: InChIKey=PLLUTBVOQHGCEM-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 = 50246848   
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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50246848
PNG
(CHEMBL4061831)
Show SMILES ONC(=O)c1ccc(F)c(NCc2ccccc2)c1
Show InChI InChI=1S/C14H13FN2O2/c15-12-7-6-11(14(18)17-19)8-13(12)16-9-10-4-2-1-3-5-10/h1-8,16,19H,9H2,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC6 expressed in fall armyworm Sf9 cells using fluorogenic ZMAL as substrate after 90 mins by fluorimet...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50246848
PNG
(CHEMBL4061831)
Show SMILES ONC(=O)c1ccc(F)c(NCc2ccccc2)c1
Show InChI InChI=1S/C14H13FN2O2/c15-12-7-6-11(14(18)17-19)8-13(12)16-9-10-4-2-1-3-5-10/h1-8,16,19H,9H2,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC1 expressed in fall armyworm Sf9 cells using fluorogenic ZMAL as substrate aft...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50246848
PNG
(CHEMBL4061831)
Show SMILES ONC(=O)c1ccc(F)c(NCc2ccccc2)c1
Show InChI InChI=1S/C14H13FN2O2/c15-12-7-6-11(14(18)17-19)8-13(12)16-9-10-4-2-1-3-5-10/h1-8,16,19H,9H2,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...


J Med Chem 60: 10188-10204 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01447
BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
More data for this
Ligand-Target Pair