Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 534.6 BDBM18319

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))	BDBM18319 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2nnn[nH]2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H46N6O5/c1-18(2)21(15-20-9-10-24(37-5)25(16-20)38-13-7-12-36-4)17-22(28)23(34)14-19(3)27(35)29-11-6-8-26-30-32-33-31-26/h9-10,16,18-19,21-23,34H,6-8,11-15,17,28H2,1-5H3,(H,29,35)(H,30,31,32,33)/t19-,21+,22+,23+/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	3	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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