Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 449.4 BDBM50406951

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 (Homo sapiens (Human))	BDBM50406951 (CHEMBL78996) Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N1CCC[C@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C21H27N3O8/c1-13(22-21(31)32-12-14-6-3-2-4-7-14)18(26)23-15(19(27)28)9-10-17(25)24-11-5-8-16(24)20(29)30/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,22,31)(H,23,26)(H,27,28)(H,29,30)/t13?,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
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