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SMILES: Cn1cccc1S(=O)(=O)Cc1ccccc1\N=C\c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=YSCKROBNICXBFG-DEDYPNTBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50395590   
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
Glutathione S-transferase A1


(Homo sapiens (Human))		BDBM50395590
PNG
(CHEMBL2165141)
Show SMILES Cn1cccc1S(=O)(=O)Cc1ccccc1\N=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O4S/c1-21-12-4-7-19(21)27(25,26)14-16-5-2-3-6-18(16)20-13-15-8-10-17(11-9-15)22(23)24/h2-13H,14H2,1H3/b20-13+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 7.10E+4n/an/an/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human GSTA1-1 expressed in Escherichia coli BL21 (DE3) using CDNB as substrate

J Med Chem 55: 6802-13 (2012)


Article DOI: 10.1021/jm300385f
BindingDB Entry DOI: 10.7270/Q2DN4654
More data for this
Ligand-Target Pair