Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.5 BDBM50279117

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))	BDBM50279117 (CHEMBL4175518) Show SMILES COc1ccc(cc1)N1C(=O)\C(=N\C(=S)NCc2cc3ccccc3cc2O)c2ccccc12 Show InChI InChI=1S/C27H21N3O3S/c1-33-21-12-10-20(11-13-21)30-23-9-5-4-8-22(23)25(26(30)32)29-27(34)28-16-19-14-17-6-2-3-7-18(17)15-24(19)31/h2-15,31H,16H2,1H3,(H,28,34)/b29-25+	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	9.80	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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