Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50027393   

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 D (Homo sapiens (Human))	BDBM50274090 (4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...) Show SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1 |r| Show InChI InChI=1S/C40H57F2N5O10S/c1-22(2)33(36(51)43-20-24-10-12-25(13-11-24)38(53)55-8)46-32(49)19-31(48)30(21-56-28-17-26(41)16-27(42)18-28)45-35(50)29(14-15-58-9)44-37(52)34(23(3)4)47-39(54)57-40(5,6)7/h10-13,16-18,22-23,29-31,33-34,48H,14-15,19-21H2,1-9H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)(H,47,54)/t29-,30-,31-,33-,34-/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	15	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
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
Cathepsin D (Homo sapiens (Human))	BDBM50274096 (4-[((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(met...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C43H51N5O10S/c1-27(2)39(42(53)44-24-29-16-18-32(19-17-29)43(54)55)47-38(50)23-37(49)36(26-58-25-30-12-8-6-9-13-30)46-41(52)34-20-33(21-35(22-34)48(4)59(5,56)57)40(51)45-28(3)31-14-10-7-11-15-31/h6-22,27-28,36-37,39,49H,23-26H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)(H,54,55)/t28-,36+,37+,39+/m1/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	180	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
Cathepsin D (Homo sapiens (Human))	BDBM50274103 (5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamo...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H48N4O10/c1-5-15-43(16-6-2)37(48)27-14-10-13-26(17-27)35(46)41-31(23-53-22-25-11-8-7-9-12-25)32(44)21-33(45)42-34(24(3)4)36(47)40-30-19-28(38(49)50)18-29(20-30)39(51)52/h7-14,17-20,24,31-32,34,44H,5-6,15-16,21-23H2,1-4H3,(H,40,47)(H,41,46)(H,42,45)(H,49,50)(H,51,52)/t31-,32-,34-/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	350	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
Cathepsin D (Homo sapiens (Human))	BDBM50274094 (4-[((S)-2-{(3S,4S)-3-Hydroxy-4-[3-(methanesulfonyl...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C42H49N5O10S/c1-26(2)38(41(52)43-24-28-16-18-30(19-17-28)42(53)54)46-37(49)23-36(48)35(25-57-34-14-10-7-11-15-34)45-40(51)32-20-31(21-33(22-32)47(4)58(5,55)56)39(50)44-27(3)29-12-8-6-9-13-29/h6-22,26-27,35-36,38,48H,23-25H2,1-5H3,(H,43,52)(H,44,50)(H,45,51)(H,46,49)(H,53,54)/t27-,35+,36+,38+/m1/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	360	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
Cathepsin D (Homo sapiens (Human))	BDBM50274095 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hy...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C43H49F2N5O10S/c1-25(2)39(42(55)46-22-27-11-13-30(14-12-27)43(56)57)49-38(52)21-37(51)36(24-60-23-28-15-33(44)20-34(45)16-28)48-41(54)32-17-31(18-35(19-32)50(4)61(5,58)59)40(53)47-26(3)29-9-7-6-8-10-29/h6-20,25-26,36-37,39,51H,21-24H2,1-5H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)(H,56,57)/t26-,36+,37+,39+/m1/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	430	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
Cathepsin D (Homo sapiens (Human))	BDBM50274100 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hyd...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C43H47F2N5O12S/c1-23(2)38(41(55)47-33-15-29(42(56)57)14-30(16-33)43(58)59)49-37(52)20-36(51)35(22-62-21-25-11-31(44)19-32(45)12-25)48-40(54)28-13-27(17-34(18-28)50(4)63(5,60)61)39(53)46-24(3)26-9-7-6-8-10-26/h6-19,23-24,35-36,38,51H,20-22H2,1-5H3,(H,46,53)(H,47,55)(H,48,54)(H,49,52)(H,56,57)(H,58,59)/t24-,35+,36+,38+/m1/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	440	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
Cathepsin D (Homo sapiens (Human))	BDBM50274093 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C42H47F2N5O10S/c1-24(2)38(41(54)45-22-26-11-13-28(14-12-26)42(55)56)48-37(51)21-36(50)35(23-59-34-19-31(43)18-32(44)20-34)47-40(53)30-15-29(16-33(17-30)49(4)60(5,57)58)39(52)46-25(3)27-9-7-6-8-10-27/h6-20,24-25,35-36,38,50H,21-23H2,1-5H3,(H,45,54)(H,46,52)(H,47,53)(H,48,51)(H,55,56)/t25-,35+,36+,38+/m1/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	510	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
Cathepsin D (Homo sapiens (Human))	BDBM50274108 (CHEMBL445085 | N-[(1S,2S)-3-((S)-1-Benzylcarbamoyl...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C41H47F2N5O8S/c1-25(2)38(41(53)44-23-27-12-8-6-9-13-27)47-37(50)22-36(49)35(24-56-34-20-31(42)19-32(43)21-34)46-40(52)30-16-29(17-33(18-30)48(4)57(5,54)55)39(51)45-26(3)28-14-10-7-11-15-28/h6-21,25-26,35-36,38,49H,22-24H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)/t26-,35+,36+,38+/m1/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	570	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
Cathepsin D (Homo sapiens (Human))	BDBM50274101 (5-((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(meth...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C43H49N5O12S/c1-25(2)38(41(53)45-33-18-31(42(54)55)17-32(19-33)43(56)57)47-37(50)22-36(49)35(24-60-23-27-12-8-6-9-13-27)46-40(52)30-16-29(20-34(21-30)48(4)61(5,58)59)39(51)44-26(3)28-14-10-7-11-15-28/h6-21,25-26,35-36,38,49H,22-24H2,1-5H3,(H,44,51)(H,45,53)(H,46,52)(H,47,50)(H,54,55)(H,56,57)/t26-,35+,36+,38+/m1/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	630	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
Cathepsin D (Homo sapiens (Human))	BDBM50274092 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc1 |r| Show InChI InChI=1S/C43H49F2N5O10S/c1-25(2)39(42(55)46-23-27-12-14-29(15-13-27)43(56)59-5)49-38(52)22-37(51)36(24-60-35-20-32(44)19-33(45)21-35)48-41(54)31-16-30(17-34(18-31)50(4)61(6,57)58)40(53)47-26(3)28-10-8-7-9-11-28/h7-21,25-26,36-37,39,51H,22-24H2,1-6H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)/t26-,36+,37+,39+/m1/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	730	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
Cathepsin D (Homo sapiens (Human))	BDBM50274099 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C42H45F2N5O12S/c1-22(2)37(40(54)46-31-13-27(41(55)56)12-28(14-31)42(57)58)48-36(51)20-35(50)34(21-61-33-18-29(43)17-30(44)19-33)47-39(53)26-11-25(15-32(16-26)49(4)62(5,59)60)38(52)45-23(3)24-9-7-6-8-10-24/h6-19,22-23,34-35,37,50H,20-21H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,51)(H,55,56)(H,57,58)/t23-,34+,35+,37+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	780	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
Cathepsin D (Homo sapiens (Human))	BDBM50274102 (5-{(S)-2-[(3S,4S)-5-(3,5-Difluoro-benzyloxy)-4-(3-...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H46F2N4O10/c1-5-10-45(11-6-2)37(50)25-9-7-8-24(14-25)35(48)43-31(21-55-20-23-12-28(40)18-29(41)13-23)32(46)19-33(47)44-34(22(3)4)36(49)42-30-16-26(38(51)52)15-27(17-30)39(53)54/h7-9,12-18,22,31-32,34,46H,5-6,10-11,19-21H2,1-4H3,(H,42,49)(H,43,48)(H,44,47)(H,51,52)(H,53,54)/t31-,32-,34-/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	930	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
Cathepsin D (Homo sapiens (Human))	BDBM50274109 (4-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C41H45F2N5O10S/c1-23(2)37(40(53)45-31-13-11-26(12-14-31)41(54)55)47-36(50)21-35(49)34(22-58-33-19-29(42)18-30(43)20-33)46-39(52)28-15-27(16-32(17-28)48(4)59(5,56)57)38(51)44-24(3)25-9-7-6-8-10-25/h6-20,23-24,34-35,37,49H,21-22H2,1-5H3,(H,44,51)(H,45,53)(H,46,52)(H,47,50)(H,54,55)/t24-,34+,35+,37+/m1/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	1.50E+3	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
Cathepsin D (Homo sapiens (Human))	BDBM50274098 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...) Show SMILES COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc(c1)C(=O)OC |r| Show InChI InChI=1S/C44H49F2N5O12S/c1-24(2)39(42(56)48-33-15-29(43(57)61-5)14-30(16-33)44(58)62-6)50-38(53)22-37(52)36(23-63-35-20-31(45)19-32(46)21-35)49-41(55)28-13-27(17-34(18-28)51(4)64(7,59)60)40(54)47-25(3)26-11-9-8-10-12-26/h8-21,24-25,36-37,39,52H,22-23H2,1-7H3,(H,47,54)(H,48,56)(H,49,55)(H,50,53)/t25-,36+,37+,39+/m1/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	1.95E+3	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
Cathepsin D (Homo sapiens (Human))	BDBM50274111 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H38F2N4O9S/c1-19(2)30(32(43)36-17-20-8-10-21(11-9-20)33(44)45)38-29(41)16-28(40)27(18-48-26-14-23(34)13-24(35)15-26)37-31(42)22-6-5-7-25(12-22)39(3)49(4,46)47/h5-15,19,27-28,30,40H,16-18H2,1-4H3,(H,36,43)(H,37,42)(H,38,41)(H,44,45)/t27-,28-,30-/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	>5.00E+3	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
Cathepsin D (Homo sapiens (Human))	BDBM50274110 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N[C@H](C)c1ccccc1)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C40H42F2N4O8/c1-23(2)36(39(51)43-21-25-12-14-27(15-13-25)40(52)53)46-35(48)20-34(47)33(22-54-32-18-30(41)17-31(42)19-32)45-38(50)29-11-7-10-28(16-29)37(49)44-24(3)26-8-5-4-6-9-26/h4-19,23-24,33-34,36,47H,20-22H2,1-3H3,(H,43,51)(H,44,49)(H,45,50)(H,46,48)(H,52,53)/t24-,33+,34+,36+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+3	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
Cathepsin D (Homo sapiens (Human))	BDBM50274107 (4-[(2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C39H41F2N5O10S/c1-23(25-7-5-4-6-8-25)44-37(50)27-13-28(15-31(14-27)46(2)57(3,54)55)38(51)45-33(22-56-32-17-29(40)16-30(41)18-32)34(47)19-35(48)43-21-36(49)42-20-24-9-11-26(12-10-24)39(52)53/h4-18,23,33-34,47H,19-22H2,1-3H3,(H,42,49)(H,43,48)(H,44,50)(H,45,51)(H,52,53)/t23-,33+,34+/m1/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	>5.00E+3	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
Cathepsin D (Homo sapiens (Human))	BDBM50274106 (4-({(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H38F2N4O9S/c1-22(24-7-5-4-6-8-24)41-35(46)26-13-27(15-30(14-26)43(2)53(3,50)51)36(47)42-32(21-52-31-17-28(38)16-29(39)18-31)33(44)19-34(45)40-20-23-9-11-25(12-10-23)37(48)49/h4-18,22,32-33,44H,19-21H2,1-3H3,(H,40,45)(H,41,46)(H,42,47)(H,48,49)/t22-,32+,33+/m1/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	>5.00E+3	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
Cathepsin D (Homo sapiens (Human))	BDBM50274105 (CHEMBL455292 | N-[(1S,2S)-3-Cyclopropylcarbamoyl-1...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C32H36F2N4O7S/c1-19(20-7-5-4-6-8-20)35-31(41)21-11-22(13-26(12-21)38(2)46(3,43)44)32(42)37-28(29(39)17-30(40)36-25-9-10-25)18-45-27-15-23(33)14-24(34)16-27/h4-8,11-16,19,25,28-29,39H,9-10,17-18H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)/t19-,28+,29+/m1/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	>5.00E+3	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
Cathepsin D (Homo sapiens (Human))	BDBM50274104 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hyd...) Show SMILES CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C36H41F2N5O12S/c1-18(2)31(34(48)40-26-10-22(35(49)50)9-23(11-26)36(51)52)42-30(45)15-29(44)28(17-55-16-19-6-24(37)14-25(38)7-19)41-33(47)21-8-20(32(46)39-3)12-27(13-21)43(4)56(5,53)54/h6-14,18,28-29,31,44H,15-17H2,1-5H3,(H,39,46)(H,40,48)(H,41,47)(H,42,45)(H,49,50)(H,51,52)/t28-,29-,31-/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	>5.00E+3	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
Cathepsin D (Homo sapiens (Human))	BDBM50274097 (4-[((S)-2-{(3R,4S)-5-Benzyloxy-3-hydroxy-4-[3-(met...) Show SMILES CC(C)[C@H](NC(=O)C[C@@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C43H51N5O10S/c1-27(2)39(42(53)44-24-29-16-18-32(19-17-29)43(54)55)47-38(50)23-37(49)36(26-58-25-30-12-8-6-9-13-30)46-41(52)34-20-33(21-35(22-34)48(4)59(5,56)57)40(51)45-28(3)31-14-10-7-11-15-31/h6-22,27-28,36-37,39,49H,23-26H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)(H,54,55)/t28-,36+,37-,39+/m1/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	>5.00E+3	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))	BDBM50274101 (5-((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(meth...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C43H49N5O12S/c1-25(2)38(41(53)45-33-18-31(42(54)55)17-32(19-33)43(56)57)47-37(50)22-36(49)35(24-60-23-27-12-8-6-9-13-27)46-40(52)30-16-29(20-34(21-30)48(4)61(5,58)59)39(51)44-26(3)28-14-10-7-11-15-28/h6-21,25-26,35-36,38,49H,22-24H2,1-5H3,(H,44,51)(H,45,53)(H,46,52)(H,47,50)(H,54,55)(H,56,57)/t26-,35+,36+,38+/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	12	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274093 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C42H47F2N5O10S/c1-24(2)38(41(54)45-22-26-11-13-28(14-12-26)42(55)56)48-37(51)21-36(50)35(23-59-34-19-31(43)18-32(44)20-34)47-40(53)30-15-29(16-33(17-30)49(4)60(5,57)58)39(52)46-25(3)27-9-7-6-8-10-27/h6-20,24-25,35-36,38,50H,21-23H2,1-5H3,(H,45,54)(H,46,52)(H,47,53)(H,48,51)(H,55,56)/t25-,35+,36+,38+/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	13	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274094 (4-[((S)-2-{(3S,4S)-3-Hydroxy-4-[3-(methanesulfonyl...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C42H49N5O10S/c1-26(2)38(41(52)43-24-28-16-18-30(19-17-28)42(53)54)46-37(49)23-36(48)35(25-57-34-14-10-7-11-15-34)45-40(51)32-20-31(21-33(22-32)47(4)58(5,55)56)39(50)44-27(3)29-12-8-6-9-13-29/h6-22,26-27,35-36,38,48H,23-25H2,1-5H3,(H,43,52)(H,44,50)(H,45,51)(H,46,49)(H,53,54)/t27-,35+,36+,38+/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	14	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274096 (4-[((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(met...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C43H51N5O10S/c1-27(2)39(42(53)44-24-29-16-18-32(19-17-29)43(54)55)47-38(50)23-37(49)36(26-58-25-30-12-8-6-9-13-30)46-41(52)34-20-33(21-35(22-34)48(4)59(5,56)57)40(51)45-28(3)31-14-10-7-11-15-31/h6-22,27-28,36-37,39,49H,23-26H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)(H,54,55)/t28-,36+,37+,39+/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	24	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274099 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C42H45F2N5O12S/c1-22(2)37(40(54)46-31-13-27(41(55)56)12-28(14-31)42(57)58)48-36(51)20-35(50)34(21-61-33-18-29(43)17-30(44)19-33)47-39(53)26-11-25(15-32(16-26)49(4)62(5,59)60)38(52)45-23(3)24-9-7-6-8-10-24/h6-19,22-23,34-35,37,50H,20-21H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,51)(H,55,56)(H,57,58)/t23-,34+,35+,37+/m1/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	37	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				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274100 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hyd...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C43H47F2N5O12S/c1-23(2)38(41(55)47-33-15-29(42(56)57)14-30(16-33)43(58)59)49-37(52)20-36(51)35(22-62-21-25-11-31(44)19-32(45)12-25)48-40(54)28-13-27(17-34(18-28)50(4)63(5,60)61)39(53)46-24(3)26-9-7-6-8-10-26/h6-19,23-24,35-36,38,51H,20-22H2,1-5H3,(H,46,53)(H,47,55)(H,48,54)(H,49,52)(H,56,57)(H,58,59)/t24-,35+,36+,38+/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	40	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274095 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hy...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C43H49F2N5O10S/c1-25(2)39(42(55)46-22-27-11-13-30(14-12-27)43(56)57)49-38(52)21-37(51)36(24-60-23-28-15-33(44)20-34(45)16-28)48-41(54)32-17-31(18-35(19-32)50(4)61(5,58)59)40(53)47-26(3)29-9-7-6-8-10-29/h6-20,25-26,36-37,39,51H,21-24H2,1-5H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)(H,56,57)/t26-,36+,37+,39+/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	120	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274092 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc1 |r| Show InChI InChI=1S/C43H49F2N5O10S/c1-25(2)39(42(55)46-23-27-12-14-29(15-13-27)43(56)59-5)49-38(52)22-37(51)36(24-60-35-20-32(44)19-33(45)21-35)48-41(54)31-16-30(17-34(18-31)50(4)61(6,57)58)40(53)47-26(3)28-10-8-7-9-11-28/h7-21,25-26,36-37,39,51H,22-24H2,1-6H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)/t26-,36+,37+,39+/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	200	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274108 (CHEMBL445085 | N-[(1S,2S)-3-((S)-1-Benzylcarbamoyl...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C41H47F2N5O8S/c1-25(2)38(41(53)44-23-27-12-8-6-9-13-27)47-37(50)22-36(49)35(24-56-34-20-31(42)19-32(43)21-34)46-40(52)30-16-29(17-33(18-30)48(4)57(5,54)55)39(51)45-26(3)28-14-10-7-11-15-28/h6-21,25-26,35-36,38,49H,22-24H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)/t26-,35+,36+,38+/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	210	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274098 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...) Show SMILES COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc(c1)C(=O)OC |r| Show InChI InChI=1S/C44H49F2N5O12S/c1-24(2)39(42(56)48-33-15-29(43(57)61-5)14-30(16-33)44(58)62-6)50-38(53)22-37(52)36(23-63-35-20-31(45)19-32(46)21-35)49-41(55)28-13-27(17-34(18-28)51(4)64(7,59)60)40(54)47-25(3)26-11-9-8-10-12-26/h8-21,24-25,36-37,39,52H,22-23H2,1-7H3,(H,47,54)(H,48,56)(H,49,55)(H,50,53)/t25-,36+,37+,39+/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	220	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274109 (4-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C41H45F2N5O10S/c1-23(2)37(40(53)45-31-13-11-26(12-14-31)41(54)55)47-36(50)21-35(49)34(22-58-33-19-29(42)18-30(43)20-33)46-39(52)28-15-27(16-32(17-28)48(4)59(5,56)57)38(51)44-24(3)25-9-7-6-8-10-25/h6-20,23-24,34-35,37,49H,21-22H2,1-5H3,(H,44,51)(H,45,53)(H,46,52)(H,47,50)(H,54,55)/t24-,34+,35+,37+/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	260	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274097 (4-[((S)-2-{(3R,4S)-5-Benzyloxy-3-hydroxy-4-[3-(met...) Show SMILES CC(C)[C@H](NC(=O)C[C@@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C43H51N5O10S/c1-27(2)39(42(53)44-24-29-16-18-32(19-17-29)43(54)55)47-38(50)23-37(49)36(26-58-25-30-12-8-6-9-13-30)46-41(52)34-20-33(21-35(22-34)48(4)59(5,56)57)40(51)45-28(3)31-14-10-7-11-15-31/h6-22,27-28,36-37,39,49H,23-26H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)(H,54,55)/t28-,36+,37-,39+/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	1.20E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274104 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hyd...) Show SMILES CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C36H41F2N5O12S/c1-18(2)31(34(48)40-26-10-22(35(49)50)9-23(11-26)36(51)52)42-30(45)15-29(44)28(17-55-16-19-6-24(37)14-25(38)7-19)41-33(47)21-8-20(32(46)39-3)12-27(13-21)43(4)56(5,53)54/h6-14,18,28-29,31,44H,15-17H2,1-5H3,(H,39,46)(H,40,48)(H,41,47)(H,42,45)(H,49,50)(H,51,52)/t28-,29-,31-/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	1.60E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274103 (5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamo...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H48N4O10/c1-5-15-43(16-6-2)37(48)27-14-10-13-26(17-27)35(46)41-31(23-53-22-25-11-8-7-9-12-25)32(44)21-33(45)42-34(24(3)4)36(47)40-30-19-28(38(49)50)18-29(20-30)39(51)52/h7-14,17-20,24,31-32,34,44H,5-6,15-16,21-23H2,1-4H3,(H,40,47)(H,41,46)(H,42,45)(H,49,50)(H,51,52)/t31-,32-,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	1.89E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274102 (5-{(S)-2-[(3S,4S)-5-(3,5-Difluoro-benzyloxy)-4-(3-...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H46F2N4O10/c1-5-10-45(11-6-2)37(50)25-9-7-8-24(14-25)35(48)43-31(21-55-20-23-12-28(40)18-29(41)13-23)32(46)19-33(47)44-34(22(3)4)36(49)42-30-16-26(38(51)52)15-27(17-30)39(53)54/h7-9,12-18,22,31-32,34,46H,5-6,10-11,19-21H2,1-4H3,(H,42,49)(H,43,48)(H,44,47)(H,51,52)(H,53,54)/t31-,32-,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	2.23E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274107 (4-[(2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C39H41F2N5O10S/c1-23(25-7-5-4-6-8-25)44-37(50)27-13-28(15-31(14-27)46(2)57(3,54)55)38(51)45-33(22-56-32-17-29(40)16-30(41)18-32)34(47)19-35(48)43-21-36(49)42-20-24-9-11-26(12-10-24)39(52)53/h4-18,23,33-34,47H,19-22H2,1-3H3,(H,42,49)(H,43,48)(H,44,50)(H,45,51)(H,52,53)/t23-,33+,34+/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	2.30E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274106 (4-({(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H38F2N4O9S/c1-22(24-7-5-4-6-8-24)41-35(46)26-13-27(15-30(14-26)43(2)53(3,50)51)36(47)42-32(21-52-31-17-28(38)16-29(39)18-31)33(44)19-34(45)40-20-23-9-11-25(12-10-23)37(48)49/h4-18,22,32-33,44H,19-21H2,1-3H3,(H,40,45)(H,41,46)(H,42,47)(H,48,49)/t22-,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	4.00E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274090 (4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...) Show SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1 |r| Show InChI InChI=1S/C40H57F2N5O10S/c1-22(2)33(36(51)43-20-24-10-12-25(13-11-24)38(53)55-8)46-32(49)19-31(48)30(21-56-28-17-26(41)16-27(42)18-28)45-35(50)29(14-15-58-9)44-37(52)34(23(3)4)47-39(54)57-40(5,6)7/h10-13,16-18,22-23,29-31,33-34,48H,14-15,19-21H2,1-9H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)(H,47,54)/t29-,30-,31-,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	>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
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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274111 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H38F2N4O9S/c1-19(2)30(32(43)36-17-20-8-10-21(11-9-20)33(44)45)38-29(41)16-28(40)27(18-48-26-14-23(34)13-24(35)15-26)37-31(42)22-6-5-7-25(12-22)39(3)49(4,46)47/h5-15,19,27-28,30,40H,16-18H2,1-4H3,(H,36,43)(H,37,42)(H,38,41)(H,44,45)/t27-,28-,30-/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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274105 (CHEMBL455292 | N-[(1S,2S)-3-Cyclopropylcarbamoyl-1...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C32H36F2N4O7S/c1-19(20-7-5-4-6-8-20)35-31(41)21-11-22(13-26(12-21)38(2)46(3,43)44)32(42)37-28(29(39)17-30(40)36-25-9-10-25)18-45-27-15-23(33)14-24(34)16-27/h4-8,11-16,19,25,28-29,39H,9-10,17-18H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)/t19-,28+,29+/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	>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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50274110 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N[C@H](C)c1ccccc1)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C40H42F2N4O8/c1-23(2)36(39(51)43-21-25-12-14-27(15-13-25)40(52)53)46-35(48)20-34(47)33(22-54-32-18-30(41)17-31(42)19-32)45-38(50)29-11-7-10-28(16-29)37(49)44-24(3)26-8-5-4-6-9-26/h4-19,23-24,33-34,36,47H,20-22H2,1-3H3,(H,43,51)(H,44,49)(H,45,50)(H,46,48)(H,52,53)/t24-,33+,34+,36+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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