Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 481.5 BDBM50279127

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))	BDBM50279127 (CHEMBL4174072) Show SMILES COc1ccc(CN2C(=O)\C(=N/C(=S)NCc3cc4ccccc4cc3O)c3ccccc23)cc1 Show InChI InChI=1S/C28H23N3O3S/c1-34-22-12-10-18(11-13-22)17-31-24-9-5-4-8-23(24)26(27(31)33)30-28(35)29-16-21-14-19-6-2-3-7-20(19)15-25(21)32/h2-15,32H,16-17H2,1H3,(H,29,35)/b30-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
VIT University Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin) using Hippuryl-L-Histidyl-L-Leucine as substrate after 60 mins by colorimetric method				Eur J Med Chem 141: 417-426 (2017) Article DOI: 10.1016/j.ejmech.2017.09.076 BindingDB Entry DOI: 10.7270/Q26112TS
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