null

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)c1cn(C)cn1

InChI Key: InChIKey=RJPKZFOLDCVSNL-LXQNXJGFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317038   

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))	BDBM50317038 (CHEMBL1097332 | 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)c1cn(C)cn1 |r| Show InChI InChI=1S/C32H42F2N6O5S/c1-5-8-39(9-6-2)32(43)24-12-21(3)11-23(16-24)31(42)37-27(15-22-13-25(33)17-26(34)14-22)30(41)28-18-40(10-7-35-28)46(44,45)29-19-38(4)20-36-29/h11-14,16-17,19-20,27-28,30,35,41H,5-10,15,18H2,1-4H3,(H,37,42)/t27-,28+,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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))	BDBM50317038 (CHEMBL1097332 | 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)c1cn(C)cn1 |r| Show InChI InChI=1S/C32H42F2N6O5S/c1-5-8-39(9-6-2)32(43)24-12-21(3)11-23(16-24)31(42)37-27(15-22-13-25(33)17-26(34)14-22)30(41)28-18-40(10-7-35-28)46(44,45)29-19-38(4)20-36-29/h11-14,16-17,19-20,27-28,30,35,41H,5-10,15,18H2,1-4H3,(H,37,42)/t27-,28+,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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