Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 660.7 BDBM50286817

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))	BDBM50286817 (4-{(2S,3R,4S)-4-[(S)-2-((S)-2-tert-Butoxycarbonyla...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)C(=O)NCCCC(O)=O Show InChI InChI=1S/C32H48N6O9/c1-19(2)14-22(26(41)27(42)30(45)34-13-9-12-25(39)40)36-29(44)24(16-21-17-33-18-35-21)37-28(43)23(15-20-10-7-6-8-11-20)38-31(46)47-32(3,4)5/h6-8,10-11,17-19,22-24,26-27,41-42H,9,12-16H2,1-5H3,(H,33,35)(H,34,45)(H,36,44)(H,37,43)(H,38,46)(H,39,40)/t22-,23-,24-,26+,27-/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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against renin was determined				Bioorg Med Chem Lett 5: 949-952 (1995) Article DOI: 10.1016/0960-894X(95)00150-R BindingDB Entry DOI: 10.7270/Q21C1WWH
					More data for this Ligand-Target Pair