Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 551.7 BDBM18299

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))	BDBM18299 ((2R,4S,5S,7S)-5-amino-4-hydroxy-N-[2-(4-hydroxypip...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(O)CC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-21(2)24(18-23-7-8-28(38-5)29(19-23)39-16-6-15-37-4)20-26(31)27(35)17-22(3)30(36)32-11-14-33-12-9-25(34)10-13-33/h7-8,19,21-22,24-27,34-35H,6,9-18,20,31H2,1-5H3,(H,32,36)/t22-,24+,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
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