Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 770.9 BDBM50016057

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))	BDBM50016057 ((4-{1-[2-(1-Benzylcarbamoyl-3-methyl-butylcarbamoy...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)Cc1ccccc1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C45H62N4O7/c1-30(2)22-37(41(51)27-42(52)47-39(24-32(5)6)44(54)46-28-34-18-12-8-13-19-34)48-43(53)36(25-33-16-10-7-11-17-33)26-40(50)38(23-31(3)4)49-45(55)56-29-35-20-14-9-15-21-35/h7-21,30-32,36-39,41,51H,22-29H2,1-6H3,(H,46,54)(H,47,52)(H,48,53)(H,49,55)/t36-,37+,38+,39+,41?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity against human renin				J Med Chem 33: 838-45 (1990) BindingDB Entry DOI: 10.7270/Q2T152M6
					More data for this Ligand-Target Pair