Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 381.4 BDBM50027620

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
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027620 (1-[3-Acetylsulfanyl-4-(3-fluoro-phenyl)-2-methyl-4...) Show SMILES C[C@H]([C@H](SC(C)=O)C(=O)c1cccc(F)c1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H20FNO5S/c1-10(17(23)20-8-4-7-14(20)18(24)25)16(26-11(2)21)15(22)12-5-3-6-13(19)9-12/h3,5-6,9-10,14,16H,4,7-8H2,1-2H3,(H,24,25)/t10-,14+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antihypertensive activity determined by inhibition of angiotensin I converting enzyme				J Med Chem 26: 381-93 (1983) BindingDB Entry DOI: 10.7270/Q2XS5VZQ
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