Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme 2' and Ligand = 'BDBM50286723'   

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 2 (Homo sapiens (Human))	BDBM50286723 ((S)-1-[(S)-2-((R)-2-Mercapto-3-phenyl-propionylami...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](S)Cc1ccccc1 Show InChI InChI=1S/C27H28N2O4S/c30-25(24(34)16-18-8-2-1-3-9-18)28-22(26(31)29-15-7-14-23(29)27(32)33)17-20-12-6-11-19-10-4-5-13-21(19)20/h1-6,8-13,22-24,34H,7,14-17H2,(H,28,30)(H,32,33)/t22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of angiotensin converting enzyme (ACE)				Bioorg Med Chem Lett 5: 735-738 (1995) Article DOI: 10.1016/0960-894X(95)00105-3 BindingDB Entry DOI: 10.7270/Q2611097
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