Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50272145'   

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))	BDBM50272145 ((2S,5S)-1-((S)-3-Mercapto-2-methyl-propionyl)-5-(3...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1cccc(C)c1 |r| Show InChI InChI=1S/C17H23NO3S2/c1-11-4-3-5-13(8-11)10-23-15-7-6-14(17(20)21)18(15)16(19)12(2)9-22/h3-5,8,12,14-15,22H,6-7,9-10H2,1-2H3,(H,20,21)/t12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
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