BDBM50088975 2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(1-isopropyl-3-oxo-butylsulfanyl)-ethylcarbamoyl]-butyric acid::CHEMBL174957

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

InChI Key: InChIKey=MJBYJIWGCBUDNW-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 = 50088975   

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))	BDBM50088975 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(1-isopro...) Show SMILES CC(C)C(CC(C)=O)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C17H29N3O7S/c1-9(2)13(6-10(3)21)28-8-12(16(25)19-7-15(23)24)20-14(22)5-4-11(18)17(26)27/h9,11-13H,4-8,18H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+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
Glutathione S-transferase A2 (Homo sapiens (Human))	BDBM50088975 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(1-isopro...) Show SMILES CC(C)C(CC(C)=O)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C17H29N3O7S/c1-9(2)13(6-10(3)21)28-8-12(16(25)19-7-15(23)24)20-14(22)5-4-11(18)17(26)27/h9,11-13H,4-8,18H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)	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	6.60E+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