BDBM16037 1-N-(2-benzyl-1,3-dihydroxypropan-2-yl)-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::N-[1-benzyl-2-hydroxy-1-(hydroxymethyl)ethyl]-N -{[(1R)-1-(4-fluorophenyl)ethyl]-5-[N-methyl-N-(methylsulfonyl)amino]}isophthalimide::amide 4

SMILES: C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NC(CO)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key: InChIKey=ASFAFOSQXBRFMV-LJQANCHMSA-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 = 16037   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM16037 (1-N-(2-benzyl-1,3-dihydroxypropan-2-yl)-3-N-[(1R)-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NC(CO)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)30-26(35)22-13-23(15-25(14-22)32(2)39(3,37)38)27(36)31-28(17-33,18-34)16-20-7-5-4-6-8-20/h4-15,19,33-34H,16-18H2,1-3H3,(H,30,35)(H,31,36)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	4.5	37
Merck Research Laboratories					Assay Description For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...				J Med Chem 49: 7270-3 (2006) Article DOI: 10.1021/jm061046r BindingDB Entry DOI: 10.7270/Q2513WGP
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