BDBM50302840 CHEMBL571833::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclopentylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCC1)c1cccc(c1)C(C)(C)C

InChI Key: InChIKey=LWWLSQSVRJIOFD-LOSJGSFVSA-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 = 50302840   

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))	BDBM50302840 (CHEMBL571833 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C27H36F2N2O2/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(10-5-6-11-27)21-9-7-8-20(15-21)26(2,3)4/h7-9,12-13,15-16,24-25,30,33H,5-6,10-11,14,17H2,1-4H3,(H,31,32)/t24-,25+/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	130	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin D assessed as reduction in polarization after 110 mins by oregon green based fluorescence polarization assay				Bioorg Med Chem Lett 19: 6386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.09.061 BindingDB Entry DOI: 10.7270/Q23779NV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50302840 (CHEMBL571833 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C27H36F2N2O2/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(10-5-6-11-27)21-9-7-8-20(15-21)26(2,3)4/h7-9,12-13,15-16,24-25,30,33H,5-6,10-11,14,17H2,1-4H3,(H,31,32)/t24-,25+/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	220	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 expressed in Escherichia coli after 3 hrs by oregon green based fluorescence polarization assay				Bioorg Med Chem Lett 19: 6386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.09.061 BindingDB Entry DOI: 10.7270/Q23779NV
					More data for this Ligand-Target Pair