BDBM50231937 CHEMBL403268::N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide

SMILES: COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1

InChI Key: InChIKey=HIQWWDCRULXYDF-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50231937   

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)	BDBM50231937 (N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50231937 (N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	696	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM50231937 (N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM50231937 (N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair