BDBM50271630 CHEMBL453413::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-methoxy-5-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)benzamide

SMILES: COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O

InChI Key: InChIKey=JDWZGDGLKJPHMC-DNUNIWOASA-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 = 50271630   

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))	BDBM50271630 (CHEMBL453413 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H40F2N4O6/c1-46-21-28-9-6-11-41(28)34(44)25-16-24(17-29(18-25)47-2)33(43)39-30(15-23-13-26(36)19-27(37)14-23)32(42)31-35(45)40(12-10-38-31)20-22-7-4-3-5-8-22/h3-5,7-8,13-14,16-19,28,30-32,38,42H,6,9-12,15,20-21H2,1-2H3,(H,39,43)/t28-,30+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271630 (CHEMBL453413 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H40F2N4O6/c1-46-21-28-9-6-11-41(28)34(44)25-16-24(17-29(18-25)47-2)33(43)39-30(15-23-13-26(36)19-27(37)14-23)32(42)31-35(45)40(12-10-38-31)20-22-7-4-3-5-8-22/h3-5,7-8,13-14,16-19,28,30-32,38,42H,6,9-12,15,20-21H2,1-2H3,(H,39,43)/t28-,30+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair