BDBM50361808 CHEMBL1938626

SMILES: CO[C@]1(C)O[C@H]2[C@H](O)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC

InChI Key: InChIKey=AFUYITFFCLEQCI-BGNCJLHMSA-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 = 50361808   

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))	BDBM50361808 (CHEMBL1938626) Show SMILES CO[C@]1(C)O[C@H]2[C@H](O)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:8| Show InChI InChI=1S/C15H22O8/c1-8(16)21-7-9-6-10(17)12-13(11(9)18)23-15(3,20-5)14(2,19-4)22-12/h6,10,12-13,17H,7H2,1-5H3/t10-,12+,13+,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry, Academia Sinica Curated by ChEMBL					Assay Description Inhibition of human GSTA2 using GSH as substrate after 3 mins by spectrophotometry				J Med Chem 54: 8574-81 (2011) Article DOI: 10.1021/jm201131n BindingDB Entry DOI: 10.7270/Q26D5TDT
					More data for this Ligand-Target Pair
Glutathione transferase (GST) (Homo sapiens (Human))	BDBM50361808 (CHEMBL1938626) Show SMILES CO[C@]1(C)O[C@H]2[C@H](O)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:8| Show InChI InChI=1S/C15H22O8/c1-8(16)21-7-9-6-10(17)12-13(11(9)18)23-15(3,20-5)14(2,19-4)22-12/h6,10,12-13,17H,7H2,1-5H3/t10-,12+,13+,14-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry, Academia Sinica Curated by ChEMBL					Assay Description Inhibition of human GSTP1-1 using GSH as substrate after 3 mins by spectrophotometry				J Med Chem 54: 8574-81 (2011) Article DOI: 10.1021/jm201131n BindingDB Entry DOI: 10.7270/Q26D5TDT
					More data for this Ligand-Target Pair