BDBM50361792 CHEMBL1938633

SMILES: CO[C@]1(C)O[C@H]2[C@@H](OCc3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC

InChI Key: InChIKey=LBRRFEIRONDERY-GLOJMNGXSA-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 = 50361792   

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 transferase (GST) (Homo sapiens (Human))	BDBM50361792 (CHEMBL1938633) Show SMILES CO[C@]1(C)O[C@H]2[C@@H](OCc3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:16| Show InChI InChI=1S/C22H28O8/c1-14(23)27-13-16-11-17(28-12-15-9-7-6-8-10-15)19-20(18(16)24)30-22(3,26-5)21(2,25-4)29-19/h6-11,17,19-20H,12-13H2,1-5H3/t17-,19-,20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+4	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
Glutathione S-transferase A2 (Homo sapiens (Human))	BDBM50361792 (CHEMBL1938633) Show SMILES CO[C@]1(C)O[C@H]2[C@@H](OCc3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:16| Show InChI InChI=1S/C22H28O8/c1-14(23)27-13-16-11-17(28-12-15-9-7-6-8-10-15)19-20(18(16)24)30-22(3,26-5)21(2,25-4)29-19/h6-11,17,19-20H,12-13H2,1-5H3/t17-,19-,20-,21+,22+/m0/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