BDBM50226170 CHEMBL409841::YAVE

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=ZEDFYFVAXSGTGU-RPZXMPESSA-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 = 50226170   

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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Mesocricetus auratus)	BDBM50226170 (CHEMBL409841 | YAVE) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H32N4O8/c1-11(2)18(21(32)25-16(22(33)34)8-9-17(28)29)26-19(30)12(3)24-20(31)15(23)10-13-4-6-14(27)7-5-13/h4-7,11-12,15-16,18,27H,8-10,23H2,1-3H3,(H,24,31)(H,25,32)(H,26,30)(H,28,29)(H,33,34)/t12-,15-,16-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Food Research Institute Curated by ChEMBL					Assay Description Inhibition of Syrian hamster HMGR				Bioorg Med Chem 16: 1309-18 (2008) Article DOI: 10.1016/j.bmc.2007.10.064 BindingDB Entry DOI: 10.7270/Q28P61D2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Homo sapiens (Human))	BDBM50226170 (CHEMBL409841 | YAVE) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H32N4O8/c1-11(2)18(21(32)25-16(22(33)34)8-9-17(28)29)26-19(30)12(3)24-20(31)15(23)10-13-4-6-14(27)7-5-13/h4-7,11-12,15-16,18,27H,8-10,23H2,1-3H3,(H,24,31)(H,25,32)(H,26,30)(H,28,29)(H,33,34)/t12-,15-,16-,18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of the Chemistry of Plant Substances Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase by spectrophotometry				Bioorg Med Chem 18: 4300-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.090 BindingDB Entry DOI: 10.7270/Q2VM4CFG
					More data for this Ligand-Target Pair