BDBM50328046 CHEMBL1258918::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(1-neopentyl-1H-pyrazol-4-yl)cyclohexylamino)butan-2-yl)acetamide

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(CC(C)(C)C)c1

InChI Key: InChIKey=SCTUBQYFUYWOPR-BJKOFHAPSA-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 = 50328046   

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
Cathepsin D (Homo sapiens (Human))	BDBM50328046 (CHEMBL1258918 | N-((2S,3R)-1-(3,5-difluorophenyl)-...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(CC(C)(C)C)c1 |r| Show InChI InChI=1S/C26H38F2N4O2/c1-18(33)31-23(12-19-10-21(27)13-22(28)11-19)24(34)15-29-26(8-6-5-7-9-26)20-14-30-32(16-20)17-25(2,3)4/h10-11,13-14,16,23-24,29,34H,5-9,12,15,17H2,1-4H3,(H,31,33)/t23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 20: 6034-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.070 BindingDB Entry DOI: 10.7270/Q2XK8FSK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50328046 (CHEMBL1258918 | N-((2S,3R)-1-(3,5-difluorophenyl)-...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(CC(C)(C)C)c1 |r| Show InChI InChI=1S/C26H38F2N4O2/c1-18(33)31-23(12-19-10-21(27)13-22(28)11-19)24(34)15-29-26(8-6-5-7-9-26)20-14-30-32(16-20)17-25(2,3)4/h10-11,13-14,16,23-24,29,34H,5-9,12,15,17H2,1-4H3,(H,31,33)/t23-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 20: 6034-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.070 BindingDB Entry DOI: 10.7270/Q2XK8FSK
					More data for this Ligand-Target Pair