Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 776.9 BDBM50024159

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))	BDBM50024159 ((1-{[1-[1-(1-Hydroxy-2-{2-methyl-1-[(pyridin-2-ylm...) Show SMILES CCC(C)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)N(C)C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H60N8O7/c1-9-27(4)36(38(53)44-24-29-17-13-14-18-43-29)48-35(51)22-34(50)31(19-26(2)3)46-37(52)33(21-30-23-42-25-45-30)49(8)39(54)32(20-28-15-11-10-12-16-28)47-40(55)56-41(5,6)7/h10-18,23,25-27,31-34,36,50H,9,19-22,24H2,1-8H3,(H,42,45)(H,44,53)(H,46,52)(H,47,55)(H,48,51)	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	120	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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