null

SMILES: CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=GEMWRCXJLPOQSU-BLNBCHBNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50274091   

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))	BDBM50274091 (4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C39H55F2N5O10S/c1-21(2)32(35(50)42-19-23-9-11-24(12-10-23)37(52)53)45-31(48)18-30(47)29(20-55-27-16-25(40)15-26(41)17-27)44-34(49)28(13-14-57-8)43-36(51)33(22(3)4)46-38(54)56-39(5,6)7/h9-12,15-17,21-22,28-30,32-33,47H,13-14,18-20H2,1-8H3,(H,42,50)(H,43,51)(H,44,49)(H,45,48)(H,46,54)(H,52,53)/t28-,29-,30-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274091 (4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C39H55F2N5O10S/c1-21(2)32(35(50)42-19-23-9-11-24(12-10-23)37(52)53)45-31(48)18-30(47)29(20-55-27-16-25(40)15-26(41)17-27)44-34(49)28(13-14-57-8)43-36(51)33(22(3)4)46-38(54)56-39(5,6)7/h9-12,15-17,21-22,28-30,32-33,47H,13-14,18-20H2,1-8H3,(H,42,50)(H,43,51)(H,44,49)(H,45,48)(H,46,54)(H,52,53)/t28-,29-,30-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assay				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair