Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50037016'   

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))	BDBM50037016 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCCN1CCOCC1 Show InChI InChI=1S/C45H76N4O8/c1-5-6-19-41(57-42(31-36-17-11-8-12-18-36)45(53)49-24-20-37(21-25-49)56-33-54-4)44(52)47-39(30-35-15-9-7-10-16-35)40(50)32-38(34(2)3)43(51)46-22-13-14-23-48-26-28-55-29-27-48/h8,11-12,17-18,34-35,37-42,50H,5-7,9-10,13-16,19-33H2,1-4H3,(H,46,51)(H,47,52)/t38-,39-,40-,41-,42-/m0/s1	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	3.30	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair