BDBM50210718 CHEMBL231646::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-cyano-N3,N3-dipropylisophthalamide

SMILES: CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N

InChI Key: InChIKey=PUPFKUSFCYPLGU-IOWSJCHKSA-N

Data: 2 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 2 hits for monomerid = 50210718   

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
Cathepsin D (Homo sapiens (Human))	BDBM50210718 (CHEMBL231646 | N1-((2S,3R)-4-(3-methoxybenzylamino...) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N Show InChI InChI=1S/C33H40N4O4/c1-4-14-37(15-5-2)33(40)28-17-26(21-34)16-27(20-28)32(39)36-30(19-24-10-7-6-8-11-24)31(38)23-35-22-25-12-9-13-29(18-25)41-3/h6-13,16-18,20,30-31,35,38H,4-5,14-15,19,22-23H2,1-3H3,(H,36,39)/t30-,31+/m0/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	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 17: 3378-83 (2007) Article DOI: 10.1016/j.bmcl.2007.03.096 BindingDB Entry DOI: 10.7270/Q2RB748S
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50210718 (CHEMBL231646 | N1-((2S,3R)-4-(3-methoxybenzylamino...) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N Show InChI InChI=1S/C33H40N4O4/c1-4-14-37(15-5-2)33(40)28-17-26(21-34)16-27(20-28)32(39)36-30(19-24-10-7-6-8-11-24)31(38)23-35-22-25-12-9-13-29(18-25)41-3/h6-13,16-18,20,30-31,35,38H,4-5,14-15,19,22-23H2,1-3H3,(H,36,39)/t30-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 17: 3378-83 (2007) Article DOI: 10.1016/j.bmcl.2007.03.096 BindingDB Entry DOI: 10.7270/Q2RB748S
					More data for this Ligand-Target Pair