Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50033317'   

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
Renin (Homo sapiens (Human))	BDBM50033317 (CHEMBL332686 | Furan-2-ylmethyl-(2-phenyl-quinazol...) Show SMILES C(Nc1nc(nc2ccccc12)-c1ccccc1)c1ccco1 Show InChI InChI=1S/C19H15N3O/c1-2-7-14(8-3-1)18-21-17-11-5-4-10-16(17)19(22-18)20-13-15-9-6-12-23-15/h1-12H,13H2,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin expressed in FreeStyle 293 expression system				Bioorg Med Chem 24: 5771-5780 (2016) Article DOI: 10.1016/j.bmc.2016.09.030 BindingDB Entry DOI: 10.7270/Q22V2J24
					More data for this Ligand-Target Pair				3D Structure (crystal)