BDBM50317062 CHEMBL1097355::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(methylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide

SMILES: COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O

InChI Key: InChIKey=IMGGISDXENNSOV-RAVGUYNFSA-N

Data: 1 KI  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 2 hits for monomerid = 50317062   

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))	BDBM50317062 (CHEMBL1097355 | N-((1S,2S)-3-(3,5-difluorophenyl)-...) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O |r| Show InChI InChI=1S/C29H38F2N4O6S/c1-18-9-20(14-21(10-18)29(38)35-7-4-5-24(35)17-41-2)28(37)33-25(13-19-11-22(30)15-23(31)12-19)27(36)26-16-34(8-6-32-26)42(3,39)40/h9-12,14-15,24-27,32,36H,4-8,13,16-17H2,1-3H3,(H,33,37)/t24-,25+,26-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition oh BACE1				Bioorg Med Chem Lett 20: 2837-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.050 BindingDB Entry DOI: 10.7270/Q2BK1CH7
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50317062 (CHEMBL1097355 | N-((1S,2S)-3-(3,5-difluorophenyl)-...) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O |r| Show InChI InChI=1S/C29H38F2N4O6S/c1-18-9-20(14-21(10-18)29(38)35-7-4-5-24(35)17-41-2)28(37)33-25(13-19-11-22(30)15-23(31)12-19)27(36)26-16-34(8-6-32-26)42(3,39)40/h9-12,14-15,24-27,32,36H,4-8,13,16-17H2,1-3H3,(H,33,37)/t24-,25+,26-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in HEK293 cells expressing human APP assessed as amyloid beta42 production				Bioorg Med Chem Lett 20: 2837-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.050 BindingDB Entry DOI: 10.7270/Q2BK1CH7
					More data for this Ligand-Target Pair