BDBM50043763 2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-(4-methyl-benzylsulfanyl)-ethylcarbamoyl]-butyric acid::CHEMBL301229

SMILES: Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1

InChI Key: InChIKey=MBXWAPNNAOGFPH-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50043763   

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 Mu 1 (Homo sapiens (Human))	BDBM50043763 (2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-(4-methy...) Show SMILES Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C19H27N3O6S/c1-12-2-4-13(5-3-12)10-29-11-15(18(26)21-9-8-17(24)25)22-16(23)7-6-14(20)19(27)28/h2-5,14-15H,6-11,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase Mu 1				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase Mu 2 (Homo sapiens (Human))	BDBM50043763 (2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-(4-methy...) Show SMILES Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C19H27N3O6S/c1-12-2-4-13(5-3-12)10-29-11-15(18(26)21-9-8-17(24)25)22-16(23)7-6-14(20)19(27)28/h2-5,14-15H,6-11,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase Mu 2				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase P (Homo sapiens (Human))	BDBM50043763 (2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-(4-methy...) Show SMILES Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C19H27N3O6S/c1-12-2-4-13(5-3-12)10-29-11-15(18(26)21-9-8-17(24)25)22-16(23)7-6-14(20)19(27)28/h2-5,14-15H,6-11,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase P				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50043763 (2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-(4-methy...) Show SMILES Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C19H27N3O6S/c1-12-2-4-13(5-3-12)10-29-11-15(18(26)21-9-8-17(24)25)22-16(23)7-6-14(20)19(27)28/h2-5,14-15H,6-11,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione-S-transferase A1 enzyme				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair