Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 572.6 BDBM50104757

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Sus scrofa)	BDBM50104757 (CHEMBL3594145) Show SMILES [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7| Show InChI InChI=1S/C32H44O9/c1-16(9-8-10-17(2)28(39)40)19-13-23(37)32(7)24-20(35)14-21-29(4,12-11-22(36)30(21,5)15-33)25(24)26(38)27(31(19,32)6)41-18(3)34/h10,16,19-21,27,33,35H,8-9,11-15H2,1-7H3,(H,39,40)/b17-10+/t16-,19-,20+,21-,27+,29+,30+,31+,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method				J Nat Prod 78: 1977-89 (2015) Article DOI: 10.1021/acs.jnatprod.5b00331 BindingDB Entry DOI: 10.7270/Q23R0VN0
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