Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 469.4 BDBM17981

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))	BDBM17981 (1,4-benzoxazin-3-one, 18 | 6-(2,4-diamino-6-ethylp...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C(=O)N(CCCOC)c2c1)c1cccc(F)c1F Show InChI InChI=1S/C24H25F2N5O3/c1-3-16-19(22(27)30-24(28)29-16)13-8-9-18-17(12-13)31(10-5-11-33-2)23(32)21(34-18)14-6-4-7-15(25)20(14)26/h4,6-9,12,21H,3,5,10-11H2,1-2H3,(H4,27,28,29,30)	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	72	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...				Bioorg Med Chem 15: 5912-49 (2007) Article DOI: 10.1016/j.bmc.2007.05.069 BindingDB Entry DOI: 10.7270/Q2FX77QX
					More data for this Ligand-Target Pair				3D Structure (docked)