Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50085453'   

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 (Oryctolagus cuniculus)	BDBM50085453 ((S)-2-{(S)-2-[2-(Formyl-hydroxy-amino)-3-phenyl-pr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C25H31N3O6/c1-17(2)13-20(23(30)27-21(25(32)33)14-18-9-5-3-6-10-18)26-24(31)22(28(34)16-29)15-19-11-7-4-8-12-19/h3-12,16-17,20-22,34H,13-15H2,1-2H3,(H,26,31)(H,27,30)(H,32,33)/t20-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 10: 257-60 (2000) BindingDB Entry DOI: 10.7270/Q2BK1BJ8
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