BDBM18001 1,4-benzoxazin-3-one, 38::N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethyl}-2-hydroxyacetamide

SMILES: CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(=O)CO)c2c1)c1cc(F)cc(F)c1

InChI Key: InChIKey=AHPZPEPKIIZAJI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18001   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM18001 (1,4-benzoxazin-3-one, 38 | N-{2-[6-(2,4-diamino-6-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(=O)CO)c2c1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H26F2N6O4/c1-3-17-21(22(28)32-24(29)31-17)13-4-5-19-18(8-13)33(7-6-30-20(35)12-34)23(36)25(2,37-19)14-9-15(26)11-16(27)10-14/h4-5,8-11,34H,3,6-7,12H2,1-2H3,(H,30,35)(H4,28,29,31,32)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
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)