Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 641.8 BDBM50348992

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))	BDBM50348992 (CHEMBL1808236) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)CNC(=O)c2ccccc2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C37H59N3O6/c1-25(2)29(19-27-15-16-33(45-8)34(20-27)46-18-12-17-44-7)21-31(38)32(41)22-30(26(3)4)36(43)40-24-37(5,6)23-39-35(42)28-13-10-9-11-14-28/h9-11,13-16,20,25-26,29-32,41H,12,17-19,21-24,38H2,1-8H3,(H,39,42)(H,40,43)/t29-,30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of renin measured every 30 secs for 15 mins by fluorimetric analysis				Bioorg Med Chem 19: 4238-49 (2011) Article DOI: 10.1016/j.bmc.2011.05.059 BindingDB Entry DOI: 10.7270/Q2HH6KD4
					More data for this Ligand-Target Pair				3D Structure (docked)