Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50026108   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin E (Homo sapiens (Human))	BDBM50271627 (CHEMBL507651 | N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoi...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of cathepsin E				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50271626 (CHEMBL509210 | N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxop...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of cathepsin E				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50271627 (CHEMBL507651 | N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoi...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50271626 (CHEMBL509210 | N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxop...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271628 (CHEMBL510659 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H40F2N4O5/c1-22-13-25(18-26(14-22)34(44)41-11-6-9-29(41)21-46-2)33(43)39-30(17-24-15-27(36)19-28(37)16-24)32(42)31-35(45)40(12-10-38-31)20-23-7-4-3-5-8-23/h3-5,7-8,13-16,18-19,29-32,38,42H,6,9-12,17,20-21H2,1-2H3,(H,39,43)/t29-,30+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271631 (CHEMBL511110 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES COC[C@H]1CCCN1C(=O)c1cncc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C33H37F2N5O5/c1-45-20-27-8-5-10-40(27)32(43)24-15-23(17-36-18-24)31(42)38-28(14-22-12-25(34)16-26(35)13-22)30(41)29-33(44)39(11-9-37-29)19-21-6-3-2-4-7-21/h2-4,6-7,12-13,15-18,27-30,37,41H,5,8-11,14,19-20H2,1H3,(H,38,42)/t27-,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271629 (CHEMBL451950 | N-((1S,2S)-1-((S)-1-benzyl-5-oxoimi...) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C34H38F2N4O5/c1-21-11-24(16-25(12-21)33(43)40-10-6-9-28(40)19-45-2)32(42)38-29(15-23-13-26(35)17-27(36)14-23)31(41)30-34(44)39(20-37-30)18-22-7-4-3-5-8-22/h3-5,7-8,11-14,16-17,28-31,37,41H,6,9-10,15,18-20H2,1-2H3,(H,38,42)/t28-,29+,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271705 ((4R)-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-y...) Show SMILES CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C31H40F2N4O4/c1-3-5-12-36-19-25(24(4-2)30(36)40)29(39)35-26(16-21-14-22(32)17-23(33)15-21)28(38)27-31(41)37(13-11-34-27)18-20-9-7-6-8-10-20/h6-10,14-15,17,24-28,34,38H,3-5,11-13,16,18-19H2,1-2H3,(H,35,39)/t24-,25?,26+,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271626 (CHEMBL509210 | N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxop...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271630 (CHEMBL453413 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H40F2N4O6/c1-46-21-28-9-6-11-41(28)34(44)25-16-24(17-29(18-25)47-2)33(43)39-30(15-23-13-26(36)19-27(37)14-23)32(42)31-35(45)40(12-10-38-31)20-22-7-4-3-5-8-22/h3-5,7-8,13-14,16-19,28,30-32,38,42H,6,9-12,15,20-21H2,1-2H3,(H,39,43)/t28-,30+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271627 (CHEMBL507651 | N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoi...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271862 (CHEMBL445721 | N1-((1S,2S)-1-((S)-4-(2-methoxybenz...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2OC)C1=O |r| Show InChI InChI=1S/C36H44F2N4O5/c1-5-12-41(13-6-2)35(45)27-16-23(3)15-26(20-27)34(44)40-30(19-24-17-28(37)21-29(38)18-24)33(43)32-36(46)42(14-11-39-32)22-25-9-7-8-10-31(25)47-4/h7-10,15-18,20-21,30,32-33,39,43H,5-6,11-14,19,22H2,1-4H3,(H,40,44)/t30-,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	5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271703 (CHEMBL491071 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C29H36F2N4O4/c1-2-3-10-34-18-21(15-25(34)36)28(38)33-24(14-20-12-22(30)16-23(31)13-20)27(37)26-29(39)35(11-9-32-26)17-19-7-5-4-6-8-19/h4-8,12-13,16,21,24,26-27,32,37H,2-3,9-11,14-15,17-18H2,1H3,(H,33,38)/t21?,24-,26-,27-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50227337 (CHEMBL257278 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC |r| Show InChI InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271810 (CHEMBL491660 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES CCCN1CC(N(CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C29H37F2N5O4/c1-3-11-35-18-24(36(4-2)29(35)40)27(38)33-23(15-20-13-21(30)16-22(31)14-20)26(37)25-28(39)34(12-10-32-25)17-19-8-6-5-7-9-19/h5-9,13-14,16,23-26,32,37H,3-4,10-12,15,17-18H2,1-2H3,(H,33,38)/t23-,24?,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271632 (CHEMBL490463 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C28H34F2N4O4/c1-2-9-33-17-20(14-24(33)35)27(37)32-23(13-19-11-21(29)15-22(30)12-19)26(36)25-28(38)34(10-8-31-25)16-18-6-4-3-5-7-18/h3-7,11-12,15,20,23,25-26,31,36H,2,8-10,13-14,16-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271861 (CHEMBL507571 | N1-((1S,2S)-1-((S)-4-(cyclopropylme...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC2CC2)C1=O |r| Show InChI InChI=1S/C32H42F2N4O4/c1-4-9-37(10-5-2)31(41)24-13-20(3)12-23(17-24)30(40)36-27(16-22-14-25(33)18-26(34)15-22)29(39)28-32(42)38(11-8-35-28)19-21-6-7-21/h12-15,17-18,21,27-29,35,39H,4-11,16,19H2,1-3H3,(H,36,40)/t27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271768 (CHEMBL491659 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(CC2CC2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C29H34F2N4O4/c30-22-10-20(11-23(31)14-22)12-24(33-28(38)21-13-25(36)35(17-21)16-19-6-7-19)27(37)26-29(39)34(9-8-32-26)15-18-4-2-1-3-5-18/h1-5,10-11,14,19,21,24,26-27,32,37H,6-9,12-13,15-17H2,(H,33,38)/t21?,24-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271811 (CHEMBL508095 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES CCCN1CC(N(C(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C30H39F2N5O4/c1-4-11-36-18-25(37(19(2)3)30(36)41)28(39)34-24(15-21-13-22(31)16-23(32)14-21)27(38)26-29(40)35(12-10-33-26)17-20-8-6-5-7-9-20/h5-9,13-14,16,19,24-27,33,38H,4,10-12,15,17-18H2,1-3H3,(H,34,39)/t24-,25?,26-,27-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271860 (CHEMBL507330 | N1-((1S,2S)-3-(3,5-difluorophenyl)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC(C)C)C1=O |r| Show InChI InChI=1S/C32H44F2N4O4/c1-6-9-37(10-7-2)31(41)24-13-21(5)12-23(17-24)30(40)36-27(16-22-14-25(33)18-26(34)15-22)29(39)28-32(42)38(11-8-35-28)19-20(3)4/h12-15,17-18,20,27-29,35,39H,6-11,16,19H2,1-5H3,(H,36,40)/t27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271770 (CHEMBL521794 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES COCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C28H34F2N4O5/c1-39-10-9-33-17-20(14-24(33)35)27(37)32-23(13-19-11-21(29)15-22(30)12-19)26(36)25-28(38)34(8-7-31-25)16-18-5-3-2-4-6-18/h2-6,11-12,15,20,23,25-26,31,36H,7-10,13-14,16-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50227345 (CHEMBL255194 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpipe...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1 |r| Show InChI InChI=1S/C36H45F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271767 ((4R)-4-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopipe...) Show SMILES CCCCN1CC([C@@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C36H42F2N4O4/c1-2-3-15-41-23-30(29(35(41)45)19-24-10-6-4-7-11-24)34(44)40-31(20-26-17-27(37)21-28(38)18-26)33(43)32-36(46)42(16-14-39-32)22-25-12-8-5-9-13-25/h4-13,17-18,21,29-33,39,43H,2-3,14-16,19-20,22-23H2,1H3,(H,40,44)/t29-,30?,31+,32+,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271863 (CHEMBL455237 | N1-((1S,2S)-1-((R)-4-(2-cyanobenzyl...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2C#N)CCN1 |r| Show InChI InChI=1S/C36H43F2N5O3/c1-4-11-43(12-5-2)36(46)29-15-24(3)14-28(19-29)35(45)41-32(18-25-16-30(37)20-31(38)17-25)34(44)33-23-42(13-10-40-33)22-27-9-7-6-8-26(27)21-39/h6-9,14-17,19-20,32-34,40,44H,4-5,10-13,18,22-23H2,1-3H3,(H,41,45)/t32-,33+,34-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271812 (CHEMBL502121 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES CCCN1CC(CN(CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C31H41F2N5O4/c1-3-11-37-19-23(20-38(12-4-2)31(37)42)29(40)35-26(16-22-14-24(32)17-25(33)15-22)28(39)27-30(41)36(13-10-34-27)18-21-8-6-5-7-9-21/h5-9,14-15,17,23,26-28,34,39H,3-4,10-13,16,18-20H2,1-2H3,(H,35,40)/t26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271769 (1-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin...) Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(Cc2ccccc2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C32H34F2N4O4/c33-25-13-23(14-26(34)17-25)15-27(30(40)29-32(42)37(12-11-35-29)18-21-7-3-1-4-8-21)36-31(41)24-16-28(39)38(20-24)19-22-9-5-2-6-10-22/h1-10,13-14,17,24,27,29-30,35,40H,11-12,15-16,18-20H2,(H,36,41)/t24?,27-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271626 (CHEMBL509210 | N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxop...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271864 (CHEMBL476216 | N1-((1S,2S)-1-((R)-4-(2-chlorobenzy...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2Cl)CCN1 |r| Show InChI InChI=1S/C35H43ClF2N4O3/c1-4-11-42(12-5-2)35(45)27-15-23(3)14-26(19-27)34(44)40-31(18-24-16-28(37)20-29(38)17-24)33(43)32-22-41(13-10-39-32)21-25-8-6-7-9-30(25)36/h6-9,14-17,19-20,31-33,39,43H,4-5,10-13,18,21-22H2,1-3H3,(H,40,44)/t31-,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	27	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271859 (CHEMBL451218 | N1-((1S,2S)-3-(3,5-difluorophenyl)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CCC)C1=O |r| Show InChI InChI=1S/C31H42F2N4O4/c1-5-9-36(10-6-2)30(40)23-14-20(4)13-22(18-23)29(39)35-26(17-21-15-24(32)19-25(33)16-21)28(38)27-31(41)37(11-7-3)12-8-34-27/h13-16,18-19,26-28,34,38H,5-12,17H2,1-4H3,(H,35,39)/t26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271627 (CHEMBL507651 | N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoi...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271630 (CHEMBL453413 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H40F2N4O6/c1-46-21-28-9-6-11-41(28)34(44)25-16-24(17-29(18-25)47-2)33(43)39-30(15-23-13-26(36)19-27(37)14-23)32(42)31-35(45)40(12-10-38-31)20-22-7-4-3-5-8-22/h3-5,7-8,13-14,16-19,28,30-32,38,42H,6,9-12,15,20-21H2,1-2H3,(H,39,43)/t28-,30+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271628 (CHEMBL510659 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H40F2N4O5/c1-22-13-25(18-26(14-22)34(44)41-11-6-9-29(41)21-46-2)33(43)39-30(17-24-15-27(36)19-28(37)16-24)32(42)31-35(45)40(12-10-38-31)20-23-7-4-3-5-8-23/h3-5,7-8,13-16,18-19,29-32,38,42H,6,9-12,17,20-21H2,1-2H3,(H,39,43)/t29-,30+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271766 ((4R)-N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-...) Show SMILES CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C30H38F2N4O4/c1-3-5-11-35-17-24(23(4-2)29(35)39)28(38)34-25(14-20-12-21(31)15-22(32)13-20)27(37)26-30(40)36(18-33-26)16-19-9-7-6-8-10-19/h6-10,12-13,15,23-27,33,37H,3-5,11,14,16-18H2,1-2H3,(H,34,38)/t23-,24?,25+,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50227337 (CHEMBL257278 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC |r| Show InChI InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50227347 (CHEMBL270153 | N1-((1R,2S)-3-(3,5-difluorophenyl)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1 |r| Show InChI InChI=1S/C29H39F2N3O3/c1-4-10-34(11-5-2)29(37)22-13-19(3)12-21(17-22)28(36)33-26(27(35)25-8-6-7-9-32-25)16-20-14-23(30)18-24(31)15-20/h12-15,17-18,25-27,32,35H,4-11,16H2,1-3H3,(H,33,36)/t25-,26+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271704 (CHEMBL491265 | N-((1S,2S)-1-((S)-1-benzyl-5-oxoimi...) Show SMILES CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C28H34F2N4O4/c1-2-3-9-33-16-20(13-24(33)35)27(37)32-23(12-19-10-21(29)14-22(30)11-19)26(36)25-28(38)34(17-31-25)15-18-7-5-4-6-8-18/h4-8,10-11,14,20,23,25-26,31,36H,2-3,9,12-13,15-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271631 (CHEMBL511110 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES COC[C@H]1CCCN1C(=O)c1cncc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C33H37F2N5O5/c1-45-20-27-8-5-10-40(27)32(43)24-15-23(17-36-18-24)31(42)38-28(14-22-12-25(34)16-26(35)13-22)30(41)29-33(44)39(11-9-37-29)19-21-6-3-2-4-7-21/h2-4,6-7,12-13,15-18,27-30,37,41H,5,8-11,14,19-20H2,1H3,(H,38,42)/t27-,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271858 (CHEMBL521912 | N1-((1S,2S)-3-(3,5-difluorophenyl)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC)C1=O |r| Show InChI InChI=1S/C30H40F2N4O4/c1-5-9-36(10-6-2)29(39)22-13-19(4)12-21(17-22)28(38)34-25(16-20-14-23(31)18-24(32)15-20)27(37)26-30(40)35(7-3)11-8-33-26/h12-15,17-18,25-27,33,37H,5-11,16H2,1-4H3,(H,34,38)/t25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271703 (CHEMBL491071 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C29H36F2N4O4/c1-2-3-10-34-18-21(15-25(34)36)28(38)33-24(14-20-12-22(30)16-23(31)13-20)27(37)26-29(39)35(11-9-32-26)17-19-7-5-4-6-8-19/h4-8,12-13,16,21,24,26-27,32,37H,2-3,9-11,14-15,17-18H2,1H3,(H,33,38)/t21?,24-,26-,27-/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271814 (CHEMBL522924 | N1-((1S,2S)-3-(3,5-difluorophenyl)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(C)C1=O |r| Show InChI InChI=1S/C29H38F2N4O4/c1-5-8-35(9-6-2)28(38)21-12-18(3)11-20(16-21)27(37)33-24(15-19-13-22(30)17-23(31)14-19)26(36)25-29(39)34(4)10-7-32-25/h11-14,16-17,24-26,32,36H,5-10,15H2,1-4H3,(H,33,37)/t24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271705 ((4R)-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-y...) Show SMILES CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C31H40F2N4O4/c1-3-5-12-36-19-25(24(4-2)30(36)40)29(39)35-26(16-21-14-22(32)17-23(33)15-21)28(38)27-31(41)37(13-11-34-27)18-20-9-7-6-8-10-20/h6-10,14-15,17,24-28,34,38H,3-5,11-13,16,18-19H2,1-2H3,(H,35,39)/t24-,25?,26+,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50227347 (CHEMBL270153 | N1-((1R,2S)-3-(3,5-difluorophenyl)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1 |r| Show InChI InChI=1S/C29H39F2N3O3/c1-4-10-34(11-5-2)29(37)22-13-19(3)12-21(17-22)28(36)33-26(27(35)25-8-6-7-9-32-25)16-20-14-23(30)18-24(31)15-20/h12-15,17-18,25-27,32,35H,4-11,16H2,1-3H3,(H,33,36)/t25-,26+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271813 (CHEMBL489052 | N1-((1S,2S)-3-(3,5-difluorophenyl)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCNC1=O |r| Show InChI InChI=1S/C28H36F2N4O4/c1-4-8-34(9-5-2)28(38)20-11-17(3)10-19(15-20)26(36)33-23(14-18-12-21(29)16-22(30)13-18)25(35)24-27(37)32-7-6-31-24/h10-13,15-16,23-25,31,35H,4-9,14H2,1-3H3,(H,32,37)(H,33,36)/t23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271626 (CHEMBL509210 | N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxop...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271865 (CHEMBL510737 | N1-((1S,2S)-3-(3,5-difluorophenyl)-...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)c1ccccc1 |r| Show InChI InChI=1S/C34H42F2N4O3/c1-4-12-39(13-5-2)34(43)26-16-23(3)15-25(20-26)33(42)38-30(19-24-17-27(35)21-28(36)18-24)32(41)31-22-40(14-11-37-31)29-9-7-6-8-10-29/h6-10,15-18,20-21,30-32,37,41H,4-5,11-14,19,22H2,1-3H3,(H,38,42)/t30-,31+,32-/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	345	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271632 (CHEMBL490463 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C28H34F2N4O4/c1-2-9-33-17-20(14-24(33)35)27(37)32-23(13-19-11-21(29)15-22(30)12-19)26(36)25-28(38)34(10-8-31-25)16-18-6-4-3-5-7-18/h3-7,11-12,15,20,23,25-26,31,36H,2,8-10,13-14,16-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/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	510	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50227345 (CHEMBL255194 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpipe...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1 |r| Show InChI InChI=1S/C36H45F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	522	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271768 (CHEMBL491659 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(CC2CC2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C29H34F2N4O4/c30-22-10-20(11-23(31)14-22)12-24(33-28(38)21-13-25(36)35(17-21)16-19-6-7-19)27(37)26-29(39)34(9-8-32-26)15-18-4-2-1-3-5-18/h1-5,10-11,14,19,21,24,26-27,32,37H,6-9,12-13,15-17H2,(H,33,38)/t21?,24-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271862 (CHEMBL445721 | N1-((1S,2S)-1-((S)-4-(2-methoxybenz...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2OC)C1=O |r| Show InChI InChI=1S/C36H44F2N4O5/c1-5-12-41(13-6-2)35(45)27-16-23(3)15-26(20-27)34(44)40-30(19-24-17-28(37)21-29(38)18-24)33(43)32-36(46)42(14-11-39-32)22-25-9-7-8-10-31(25)47-4/h7-10,15-18,20-21,30,32-33,39,43H,5-6,11-14,19,22H2,1-4H3,(H,40,44)/t30-,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	550	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271810 (CHEMBL491660 | N-((1S,2S)-1-((S)-4-benzyl-3-oxopip...) Show SMILES CCCN1CC(N(CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C29H37F2N5O4/c1-3-11-35-18-24(36(4-2)29(35)40)27(38)33-23(15-20-13-21(30)16-22(31)14-20)26(37)25-28(39)34(12-10-32-25)17-19-8-6-5-7-9-19/h5-9,13-14,16,23-26,32,37H,3-4,10-12,15,17-18H2,1-2H3,(H,33,38)/t23-,24?,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
					More data for this Ligand-Target Pair

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