Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.6 BDBM50290657

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))	BDBM50290657 ((4S,5S,7S)-5-Amino-7-(4-tert-butyl-benzyl)-4-hydro...) Show SMILES CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(cc1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C27H48N2O2/c1-9-10-15-29-25(31)19(2)16-24(30)23(28)18-22(27(6,7)8)17-20-11-13-21(14-12-20)26(3,4)5/h11-14,19,22-24,30H,9-10,15-18,28H2,1-8H3,(H,29,31)/t19?,22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity against human renin at pH 7.2				Bioorg Med Chem Lett 7: 2735-2740 (1997) Article DOI: 10.1016/S0960-894X(97)10067-1 BindingDB Entry DOI: 10.7270/Q2PN95NC
					More data for this Ligand-Target Pair