BDBM50321102 CHEMBL1164157::GF(4-fluro)PDGG

SMILES: NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(O)=O

InChI Key: InChIKey=GXQFOENHBAJXQH-ULQDDVLXSA-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 = 50321102   

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 (HMG-CoA) (Homo sapiens (Human))	BDBM50321102 (CHEMBL1164157 | GF(4-fluro)PDGG) Show SMILES NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(O)=O |r| Show InChI InChI=1S/C24H31FN6O9/c25-14-5-3-13(4-6-14)8-16(29-18(32)10-26)24(40)31-7-1-2-17(31)23(39)30-15(9-20(34)35)22(38)28-11-19(33)27-12-21(36)37/h3-6,15-17H,1-2,7-12,26H2,(H,27,33)(H,28,38)(H,29,32)(H,30,39)(H,34,35)(H,36,37)/t15-,16-,17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.95E+3	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