BDBM50361793 CHEMBL1938634

SMILES: CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc4ccccc4c3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC

InChI Key: InChIKey=RDEJKPDUSGBVMR-PRKOWYPUSA-N

Data: 3 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 3 hits for monomerid = 50361793   

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))	BDBM50361793 (CHEMBL1938634) Show SMILES CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc4ccccc4c3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:21| Show InChI InChI=1S/C26H30O8/c1-16(27)31-15-20-13-21(32-14-17-10-11-18-8-6-7-9-19(18)12-17)23-24(22(20)28)34-26(3,30-5)25(2,29-4)33-23/h6-13,21,23-24H,14-15H2,1-5H3/t21-,23-,24-,25+,26+/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	7.76E+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 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))	BDBM50361793 (CHEMBL1938634) Show SMILES CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc4ccccc4c3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:21| Show InChI InChI=1S/C26H30O8/c1-16(27)31-15-20-13-21(32-14-17-10-11-18-8-6-7-9-19(18)12-17)23-24(22(20)28)34-26(3,30-5)25(2,29-4)33-23/h6-13,21,23-24H,14-15H2,1-5H3/t21-,23-,24-,25+,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.82E+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 Mu 1 (Homo sapiens (Human))	BDBM50361793 (CHEMBL1938634) Show SMILES CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc4ccccc4c3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:21| Show InChI InChI=1S/C26H30O8/c1-16(27)31-15-20-13-21(32-14-17-10-11-18-8-6-7-9-19(18)12-17)23-24(22(20)28)34-26(3,30-5)25(2,29-4)33-23/h6-13,21,23-24H,14-15H2,1-5H3/t21-,23-,24-,25+,26+/m0/s1	PDB MMDB NCI pathway 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	5.66E+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 GSTM1 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