BDBM50312538 CHEMBL1076902::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-benzyloxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide::N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

SMILES: CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=SQCCLROLILAOBD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50312538   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Human)	BDBM50312538 (N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Beta-secretase 1 (Human)	BDBM50312538 (N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM50312538 (N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair