Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50279112'   

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))	BDBM50279112 (CHEMBL4163798) Show SMILES Oc1cc2ccccc2cc1CNC(=S)\N=C1/C(=O)N(c2ccccc12)c1ccccc1Cl Show InChI InChI=1S/C26H18ClN3O2S/c27-20-10-4-6-12-22(20)30-21-11-5-3-9-19(21)24(25(30)32)29-26(33)28-15-18-13-16-7-1-2-8-17(16)14-23(18)31/h1-14,31H,15H2,(H,28,33)/b29-24-	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	15	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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