BDBM50422268 GLUTATHIONE::GSH

SMILES: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O

InChI Key: InChIKey=RWSXRVCMGQZWBV-WDSKDSINSA-N

Data: 1 KI  3 IC50  3 Kd

PDB links: 446 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50422268   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50422268 (GLUTATHIONE | GSH) Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.55E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uniroyal Chemical Co., Inc. Curated by ChEMBL					Assay Description Inhibition constant of compound against binding of Yeast Glyoxalase I				J Med Chem 31: 1396-406 (1988) Article DOI: 10.1021/jm00402a025 BindingDB Entry DOI: 10.7270/Q2P55QQJ
					More data for this Ligand-Target Pair
Heme-binding protein A (Haemophilus parasuis)	BDBM50422268 (GLUTATHIONE | GSH) Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1	PDB GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	7.4	37
Ghent University					Assay Description Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37°C, and data were analyzed using the Origen ITC analysis software packag...				BMC Biochem 12: 59 (2011) Article DOI: 10.1186/1471-2091-12-59 BindingDB Entry DOI: 10.7270/Q2B27T57
					More data for this Ligand-Target Pair
HbpA (Pasteurella multocida)	BDBM50422268 (GLUTATHIONE | GSH) Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	7.4	37
Ghent University					Assay Description Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37°C, and data were analyzed using the Origen ITC analysis software packag...				BMC Biochem 12: 59 (2011) Article DOI: 10.1186/1471-2091-12-59 BindingDB Entry DOI: 10.7270/Q2B27T57
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50422268 (GLUTATHIONE | GSH) Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...				Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50422268 (GLUTATHIONE | GSH) Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...				Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ
					More data for this Ligand-Target Pair
Heme-binding protein A (Actinobacillus pleuropneumoniae)	BDBM50422268 (GLUTATHIONE | GSH) Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1	PDB GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.58E+3	n/a	n/a	n/a	7.4	37
Ghent University					Assay Description Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37°C, and data were analyzed using the Origen ITC analysis software packag...				BMC Biochem 12: 59 (2011) Article DOI: 10.1186/1471-2091-12-59 BindingDB Entry DOI: 10.7270/Q2B27T57
					More data for this Ligand-Target Pair
Glutathione S-transferase kappa 1 (Homo sapiens (Human))	BDBM50422268 (GLUTATHIONE | GSH) Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Université Sidi Mohamed Ben Abdellah Curated by ChEMBL					Assay Description Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.				J Med Chem 41: 2278-88 (1998) Article DOI: 10.1021/jm970518m BindingDB Entry DOI: 10.7270/Q2154G56
					More data for this Ligand-Target Pair