Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 559.7 BDBM18316

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))	BDBM18316 ((2R,4S,5S,7S)-5-amino-N-[2-(dimethylsulfamoyl)ethy...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCS(=O)(=O)N(C)C)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H49N3O7S/c1-19(2)22(16-21-9-10-25(36-7)26(17-21)37-13-8-12-35-6)18-23(28)24(31)15-20(3)27(32)29-11-14-38(33,34)30(4)5/h9-10,17,19-20,22-24,31H,8,11-16,18,28H2,1-7H3,(H,29,32)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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
					More data for this Ligand-Target Pair