BDBM50088971 2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-1-phenyl-butylsulfanyl)-ethylcarbamoyl]-butyric acid::CHEMBL441308

SMILES: CC(=O)CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)c1ccccc1

InChI Key: InChIKey=AOPOXXKCBZWEHK-UHFFFAOYSA-N

Data: 2 IC50

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 = 50088971   

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 A2 (Homo sapiens (Human))	BDBM50088971 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-1-...) Show SMILES CC(=O)CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)c1ccccc1 Show InChI InChI=1S/C20H27N3O7S/c1-12(24)9-16(13-5-3-2-4-6-13)31-11-15(19(28)22-10-18(26)27)23-17(25)8-7-14(21)20(29)30/h2-6,14-16H,7-11,21H2,1H3,(H,22,28)(H,23,25)(H,26,27)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Curated by ChEMBL					Assay Description The compound was tested for it's inhibitory activity against Onchocerca volvulus Glutathione S-transferase 2				Bioorg Med Chem Lett 10: 979-81 (2000) BindingDB Entry DOI: 10.7270/Q2BZ6589
					More data for this Ligand-Target Pair
Glutathione transferase (GST) (Homo sapiens (Human))	BDBM50088971 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-1-...) Show SMILES CC(=O)CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)c1ccccc1 Show InChI InChI=1S/C20H27N3O7S/c1-12(24)9-16(13-5-3-2-4-6-13)31-11-15(19(28)22-10-18(26)27)23-17(25)8-7-14(21)20(29)30/h2-6,14-16H,7-11,21H2,1H3,(H,22,28)(H,23,25)(H,26,27)(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Curated by ChEMBL					Assay Description Inhibitory activity against human Glutathione S-transferase P				Bioorg Med Chem Lett 10: 979-81 (2000) BindingDB Entry DOI: 10.7270/Q2BZ6589
					More data for this Ligand-Target Pair