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SMILES: COCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl

InChI Key: InChIKey=ADUIOJAMEFYIGZ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50527162   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527162 (CHEMBL4458365) Show SMILES COCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione ...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50527162 (CHEMBL4458365) Show SMILES COCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Show InChI InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2...				J Med Chem 63: 2894-2914 (2020) Article DOI: 10.1021/acs.jmedchem.9b01391 BindingDB Entry DOI: 10.7270/Q24Q7ZDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)