BDBM86110

SMILES: COc1cc(O)c(c(O)c1C(C)=O)-c1c(C)cc(O)c2C(=O)c3c(O)cccc3Cc12

InChI Key: InChIKey=IYRXGHQWARDYRT-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 86110   

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 E2 (Anopheles gambiae (African malaria mosquito))	BDBM86110 Show SMILES COc1cc(O)c(c(O)c1C(C)=O)-c1c(C)cc(O)c2C(=O)c3c(O)cccc3Cc12 |(-3.58,-3.41,;-4.91,-2.64,;-4.91,-1.1,;-6.24,-.33,;-6.24,1.21,;-7.58,1.98,;-4.91,1.98,;-3.58,1.21,;-2.24,1.98,;-3.58,-.33,;-2.24,-1.1,;-.91,-.33,;-2.24,-2.64,;-4.91,3.52,;-3.58,4.29,;-2.24,3.52,;-3.58,5.83,;-4.91,6.6,;-4.91,8.14,;-6.24,5.83,;-7.58,6.6,;-7.58,8.14,;-8.91,5.83,;-10.24,6.6,;-10.24,8.14,;-11.58,5.83,;-11.58,4.29,;-10.24,3.52,;-8.91,4.29,;-7.58,3.52,;-6.24,4.29,)| Show InChI InChI=1S/C24H20O7/c1-10-7-15(27)21-13(8-12-5-4-6-14(26)20(12)24(21)30)18(10)22-16(28)9-17(31-3)19(11(2)25)23(22)29/h4-7,9,26-29H,8H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	6.5	30
University of Zimbabwe					Assay Description A range of natural product were screened for inhibition of AgGSTE2. GST activity was monitored by measuring absorbance at 340 nm with time, using a ...				J Enzyme Inhib Med Chem 23: 391-9 (2008) Article DOI: 10.1080/14756360701546595 BindingDB Entry DOI: 10.7270/Q25B011G
					More data for this Ligand-Target Pair