BDBM50361804 CHEMBL1938621

SMILES: CO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)C(=O)C=C1COC(C)(C)O[C@@H]21

InChI Key: InChIKey=WXGLEUFDUQHNBL-YCLREWFLSA-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 = 50361804   

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))	BDBM50361804 (CHEMBL1938621) Show SMILES CO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)C(=O)C=C1COC(C)(C)O[C@@H]21 |r,t:15| Show InChI InChI=1S/C16H24O7/c1-14(2)20-8-9-7-10(17)12-13(11(9)21-14)23-16(4,19-6)15(3,18-5)22-12/h7,11-13H,8H2,1-6H3/t11-,12+,13+,15-,16-/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))	BDBM50361804 (CHEMBL1938621) Show SMILES CO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)C(=O)C=C1COC(C)(C)O[C@@H]21 |r,t:15| Show InChI InChI=1S/C16H24O7/c1-14(2)20-8-9-7-10(17)12-13(11(9)21-14)23-16(4,19-6)15(3,18-5)22-12/h7,11-13H,8H2,1-6H3/t11-,12+,13+,15-,16-/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