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SMILES: Brc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)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 = 50582538   
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 4


(Homo sapiens (Human))
BDBM50582538
PNG
(CHEMBL5091419)
Show SMILES Brc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00491
BindingDB Entry DOI: 10.7270/Q2X352B7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50582538
PNG
(CHEMBL5091419)
Show SMILES Brc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 729n/an/an/an/a


TBA

Assay Description
Partial agonist activity at Gal4-fused human PPARgamma LBD in HepG2 cells assessed as transactivation incubated for 20 hrs measured by luminometer


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00491
BindingDB Entry DOI: 10.7270/Q2X352B7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50582538
PNG
(CHEMBL5091419)
Show SMILES Brc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00491
BindingDB Entry DOI: 10.7270/Q2X352B7
More data for this
Ligand-Target Pair