BDBM50307376 CHEMBL589772::N-[(1S,2S,4R)-4-Benzylcarbamoyl-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxybutyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide

SMILES: CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=KYESEZKOKGYGEV-RXDRZPENSA-N

Data: 2 KI

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 2 hits for monomerid = 50307376   

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))	BDBM50307376 (CHEMBL589772 | N-[(1S,2S,4R)-4-Benzylcarbamoyl-1-(...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C39H44F2N4O8S/c1-25(27-13-9-6-10-14-27)43-37(47)28-15-29(17-32(16-28)45(2)24-54(4,50)51)38(48)44-34(23-53-33-19-30(40)18-31(41)20-33)35(46)21-36(52-3)39(49)42-22-26-11-7-5-8-12-26/h5-20,25,34-36,46H,21-24H2,1-4H3,(H,42,49)(H,43,47)(H,44,48)/t25-,34+,35+,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50307376 (CHEMBL589772 | N-[(1S,2S,4R)-4-Benzylcarbamoyl-1-(...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C39H44F2N4O8S/c1-25(27-13-9-6-10-14-27)43-37(47)28-15-29(17-32(16-28)45(2)24-54(4,50)51)38(48)44-34(23-53-33-19-30(40)18-31(41)20-33)35(46)21-36(52-3)39(49)42-22-26-11-7-5-8-12-26/h5-20,25,34-36,46H,21-24H2,1-4H3,(H,42,49)(H,43,47)(H,44,48)/t25-,34+,35+,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair