BDBM50210032 ((2R,5S)-1-(4-chlorophenylsulfonyl)-5-phenylpyrrolidin-2-yl)methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate::CHEMBL231448

SMILES: OCCN1CCN(CC1)C(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=XEFMRJOPPTYVAW-GGAORHGYSA-N

Data: 1 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 1 hit for monomerid = 50210032   

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 amyloid A4 protein (Homo sapiens (Human))	BDBM50210032 (((2R,5S)-1-(4-chlorophenylsulfonyl)-5-phenylpyrrol...) Show SMILES OCCN1CCN(CC1)C(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C24H30ClN3O5S/c25-20-6-9-22(10-7-20)34(31,32)28-21(8-11-23(28)19-4-2-1-3-5-19)18-33-24(30)27-14-12-26(13-15-27)16-17-29/h1-7,9-10,21,23,29H,8,11-18H2/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of gamma-secretase				Bioorg Med Chem Lett 17: 3010-3 (2007) Article DOI: 10.1016/j.bmcl.2007.03.055 BindingDB Entry DOI: 10.7270/Q2QJ7H0H
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