BDBM50317047 CHEMBL1097341::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(propylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

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

InChI Key: InChIKey=KOUPBDFEJJZQLP-NHKHRBQYSA-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 = 50317047   

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))	BDBM50317047 (CHEMBL1097341 | N1-((1S,2S)-3-(3,5-difluorophenyl)...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)CCC |r| Show InChI InChI=1S/C31H44F2N4O5S/c1-5-9-36(10-6-2)31(40)24-14-21(4)13-23(18-24)30(39)35-27(17-22-15-25(32)19-26(33)16-22)29(38)28-20-37(11-8-34-28)43(41,42)12-7-3/h13-16,18-19,27-29,34,38H,5-12,17,20H2,1-4H3,(H,35,39)/t27-,28+,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	95	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))	BDBM50317047 (CHEMBL1097341 | N1-((1S,2S)-3-(3,5-difluorophenyl)...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)CCC |r| Show InChI InChI=1S/C31H44F2N4O5S/c1-5-9-36(10-6-2)31(40)24-14-21(4)13-23(18-24)30(39)35-27(17-22-15-25(32)19-26(33)16-22)29(38)28-20-37(11-8-34-28)43(41,42)12-7-3/h13-16,18-19,27-29,34,38H,5-12,17,20H2,1-4H3,(H,35,39)/t27-,28+,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	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