Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 628.8 BDBM50046783

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50046783 (2-[2-Benzyl-4-(4-methyl-piperazin-1-yl)-4-oxo-buty...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1 Show InChI InChI=1S/C36H60N4O5/c1-25(2)20-31(36(45)37-30(23-28-14-10-7-11-15-28)34(43)32(41)21-26(3)4)38-35(44)29(22-27-12-8-6-9-13-27)24-33(42)40-18-16-39(5)17-19-40/h6,8-9,12-13,25-26,28-32,34,41,43H,7,10-11,14-24H2,1-5H3,(H,37,45)(H,38,44)/t29-,30+,31+,32+,34-/m1/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	37	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human plasma renin at pH 7.4				J Med Chem 36: 449-59 (1993) BindingDB Entry DOI: 10.7270/Q20K27M6
					More data for this Ligand-Target Pair