Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50024160'   

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))	BDBM50024160 ((1-{1-[1-(1-Hydroxy-2-{2-methyl-1-[(pyridin-2-ylme...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C44H62N6O7/c1-9-30(4)39(42(55)46-28-33-22-16-17-23-45-33)49-38(52)27-37(51)34(24-29(2)3)47-40(53)35(25-31-18-12-10-13-19-31)48-41(54)36(26-32-20-14-11-15-21-32)50(8)43(56)57-44(5,6)7/h10-23,29-30,34-37,39,51H,9,24-28H2,1-8H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 29: 2088-93 (1986) BindingDB Entry DOI: 10.7270/Q2251JRT
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