BDBM50088973 2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-cyclohexylsulfanyl)-ethylcarbamoyl]-butyric acid::CHEMBL175098

SMILES: NC(CCC(=O)NC(CSC1CCCC(=O)C1)C(=O)NCC(O)=O)C(O)=O

InChI Key: InChIKey=VWJBEXOFRIALNB-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 = 50088973   

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))	BDBM50088973 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-cy...) Show SMILES NC(CCC(=O)NC(CSC1CCCC(=O)C1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H25N3O7S/c17-11(16(25)26)4-5-13(21)19-12(15(24)18-7-14(22)23)8-27-10-3-1-2-9(20)6-10/h10-12H,1-8,17H2,(H,18,24)(H,19,21)(H,22,23)(H,25,26)	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	2.20E+5	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))	BDBM50088973 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-cy...) Show SMILES NC(CCC(=O)NC(CSC1CCCC(=O)C1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H25N3O7S/c17-11(16(25)26)4-5-13(21)19-12(15(24)18-7-14(22)23)8-27-10-3-1-2-9(20)6-10/h10-12H,1-8,17H2,(H,18,24)(H,19,21)(H,22,23)(H,25,26)	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