BDBM50328039 CHEMBL1258575::N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(4-ethynylthiophen-2-yl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C#C

InChI Key: InChIKey=MLGCDGANBFYDKA-FCHUYYIVSA-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 = 50328039   

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))	BDBM50328039 (CHEMBL1258575 | N-((2S,3R)-1-(3,5-difluorophenyl)-...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C#C |r| Show InChI InChI=1S/C24H28F2N2O2S/c1-3-17-12-23(31-15-17)24(7-5-4-6-8-24)27-14-22(30)21(28-16(2)29)11-18-9-19(25)13-20(26)10-18/h1,9-10,12-13,15,21-22,27,30H,4-8,11,14H2,2H3,(H,28,29)/t21-,22+/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 Patents Similars	Article PubMed	n/a	n/a	276	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))	BDBM50328039 (CHEMBL1258575 | N-((2S,3R)-1-(3,5-difluorophenyl)-...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C#C |r| Show InChI InChI=1S/C24H28F2N2O2S/c1-3-17-12-23(31-15-17)24(7-5-4-6-8-24)27-14-22(30)21(28-16(2)29)11-18-9-19(25)13-20(26)10-18/h1,9-10,12-13,15,21-22,27,30H,4-8,11,14H2,2H3,(H,28,29)/t21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.32E+3	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