BDBM50302865 CHEMBL571432::methyl(2S,5R)-5-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)-5-(3-tert-butylphenyl)piperidin-2-ylcarbamate

SMILES: COC(=O)N[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C

InChI Key: InChIKey=HKHJJBDBPGVVKN-BVXNIFABSA-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 = 50302865   

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))	BDBM50302865 (CHEMBL571432 | methyl(2S,5R)-5-((2R,3S)-3-acetamid...) Show SMILES COC(=O)N[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C29H40F2N4O4/c1-18(36)34-24(13-19-11-22(30)15-23(31)12-19)25(37)16-33-29(10-9-26(32-17-29)35-27(38)39-5)21-8-6-7-20(14-21)28(2,3)4/h6-8,11-12,14-15,24-26,32-33,37H,9-10,13,16-17H2,1-5H3,(H,34,36)(H,35,38)/t24-,25+,26-,29-/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	2.00E+3	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))	BDBM50302865 (CHEMBL571432 | methyl(2S,5R)-5-((2R,3S)-3-acetamid...) Show SMILES COC(=O)N[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C29H40F2N4O4/c1-18(36)34-24(13-19-11-22(30)15-23(31)12-19)25(37)16-33-29(10-9-26(32-17-29)35-27(38)39-5)21-8-6-7-20(14-21)28(2,3)4/h6-8,11-12,14-15,24-26,32-33,37H,9-10,13,16-17H2,1-5H3,(H,34,36)(H,35,38)/t24-,25+,26-,29-/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	240	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