BDBM50088976 2-[2-(4-Amino-4-carboxy-butyrylamino)-2-(carboxymethyl-carbamoyl)-ethylsulfanyl]-succinic acid 4-butyl ester::CHEMBL176294

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

InChI Key: InChIKey=LFOTZWGFFSSZFR-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 = 50088976   

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 transferase (GST) (Homo sapiens (Human))	BDBM50088976 (2-[2-(4-Amino-4-carboxy-butyrylamino)-2-(carboxyme...) Show SMILES CCCCOC(=O)CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C18H29N3O10S/c1-2-3-6-31-15(25)7-12(18(29)30)32-9-11(16(26)20-8-14(23)24)21-13(22)5-4-10(19)17(27)28/h10-12H,2-9,19H2,1H3,(H,20,26)(H,21,22)(H,23,24)(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.03E+4	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
Glutathione S-transferase A2 (Homo sapiens (Human))	BDBM50088976 (2-[2-(4-Amino-4-carboxy-butyrylamino)-2-(carboxyme...) Show SMILES CCCCOC(=O)CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C18H29N3O10S/c1-2-3-6-31-15(25)7-12(18(29)30)32-9-11(16(26)20-8-14(23)24)21-13(22)5-4-10(19)17(27)28/h10-12H,2-9,19H2,1H3,(H,20,26)(H,21,22)(H,23,24)(H,27,28)(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	4.80E+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