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SMILES: OC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1

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 2 hits for monomerid = 50547481   
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
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547481
PNG
(CHEMBL4777011)
Show SMILES OC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:17|
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 704n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547481
PNG
(CHEMBL4777011)
Show SMILES OC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:17|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair