Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50279115'   

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))	BDBM50279115 (CHEMBL4171024) Show SMILES CCCN1C(=O)\C(=N/C(=S)NCc2cc3ccccc3cc2O)c2ccccc12 Show InChI InChI=1S/C23H21N3O2S/c1-2-11-26-19-10-6-5-9-18(19)21(22(26)28)25-23(29)24-14-17-12-15-7-3-4-8-16(15)13-20(17)27/h3-10,12-13,27H,2,11,14H2,1H3,(H,24,29)/b25-21-	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	12	n/a	n/a	n/a	n/a	n/a	n/a
VIT University Curated by ChEMBL					Assay Description Antagonistic activity against the P2X7 ion channel				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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