null

SMILES: CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1

InChI Key: InChIKey=MEKGAXBEGHWXAG-GMQQYTKMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50307382   

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))	BDBM50307382 (CHEMBL605967 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H39F2N3O6/c1-4-11-35(12-5-2)30(39)20-8-6-7-19(13-20)28(37)34-25(18-41-24-15-21(31)14-22(32)16-24)26(36)17-27(40-3)29(38)33-23-9-10-23/h6-8,13-16,23,25-27,36H,4-5,9-12,17-18H2,1-3H3,(H,33,38)(H,34,37)/t25-,26-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D at 0.5 uM				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50307382 (CHEMBL605967 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H39F2N3O6/c1-4-11-35(12-5-2)30(39)20-8-6-7-19(13-20)28(37)34-25(18-41-24-15-21(31)14-22(32)16-24)26(36)17-27(40-3)29(38)33-23-9-10-23/h6-8,13-16,23,25-27,36H,4-5,9-12,17-18H2,1-3H3,(H,33,38)(H,34,37)/t25-,26-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D at 5 uM				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307382 (CHEMBL605967 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H39F2N3O6/c1-4-11-35(12-5-2)30(39)20-8-6-7-19(13-20)28(37)34-25(18-41-24-15-21(31)14-22(32)16-24)26(36)17-27(40-3)29(38)33-23-9-10-23/h6-8,13-16,23,25-27,36H,4-5,9-12,17-18H2,1-3H3,(H,33,38)(H,34,37)/t25-,26-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair