Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 757.9 BDBM50024196

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))	BDBM50024196 (4-(2-{4-[2-(2-Benzyloxycarbonylamino-ethanesulfony...) Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C35H59N5O11S/c1-21(2)16-26(28(41)18-30(43)37-24(7)33(45)38-27(17-22(3)4)29(42)19-31(44)50-8)39-34(46)32(23(5)6)40-52(48,49)15-14-36-35(47)51-20-25-12-10-9-11-13-25/h9-13,21-24,26-29,32,40-42H,14-20H2,1-8H3,(H,36,47)(H,37,43)(H,38,45)(H,39,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair