BindingDB logo
myBDB logout

null

SMILES: Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1

InChI Key:

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 = 559894   
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))
BDBM559894
PNG
(US11377423, Cmpd 1A)
Show SMILES Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
The following non-trypsin coupled in-vitro HDAC enzymatic endpoint assay was used to assay the compounds of the invention. Below is a standardized pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FX7DPJ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM559894
PNG
(US11377423, Cmpd 1A)
Show SMILES Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2FX7DPJ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM559894
PNG
(US11377423, Cmpd 1A)
Show SMILES Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 157n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2FX7DPJ
More data for this
Ligand-Target Pair