BDBM50373810 CHEMBL258068

SMILES: CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O

InChI Key: InChIKey=FBDCQORXLIVIPH-PWUSVURUSA-N

Data: 5 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 5 hits for monomerid = 50373810   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50373810 (CHEMBL258068) Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/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	59	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 1011-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.017 BindingDB Entry DOI: 10.7270/Q2PG1SK5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50373810 (CHEMBL258068) Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/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	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 42 production				Bioorg Med Chem Lett 18: 1011-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.017 BindingDB Entry DOI: 10.7270/Q2PG1SK5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50373810 (CHEMBL258068) Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/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	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 1011-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.017 BindingDB Entry DOI: 10.7270/Q2PG1SK5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50373810 (CHEMBL258068) Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE2				Bioorg Med Chem Lett 18: 1011-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.017 BindingDB Entry DOI: 10.7270/Q2PG1SK5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50373810 (CHEMBL258068) Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/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	970	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 40 production				Bioorg Med Chem Lett 18: 1011-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.017 BindingDB Entry DOI: 10.7270/Q2PG1SK5
					More data for this Ligand-Target Pair