Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'yang' and Initial = 'hc'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16250 (CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50250527 (CHEMBL4066837) Show SMILES Cl.[H][C@@]1(CCCN1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N[C@@H](C)CC)nc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H34N4O4S.ClH/c1-4-16(2)26-21-14-18(15-22(28-21)33(3,31)32)24(30)27-20(13-17-9-6-5-7-10-17)23(29)19-11-8-12-25-19;/h5-7,9-10,14-16,19-20,23,25,29H,4,8,11-13H2,1-3H3,(H,26,28)(H,27,30);1H/t16-,19+,20-,23+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Lilly SA Curated by ChEMBL					Assay Description Inhibition of Fc-fused BACE1 (1 to 460 residues) (unknown origin) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by fluore...				J Med Chem 60: 9807-9820 (2017) Article DOI: 10.1021/acs.jmedchem.7b01304 BindingDB Entry DOI: 10.7270/Q29S1TGX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50250537 (CHEMBL4071843) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C1C[C@H](CN1)Oc1ccccc1 |r| Show InChI InChI=1S/C34H39F2N3O6/c1-43-20-26-7-6-10-39(26)34(42)23-14-22(15-28(16-23)44-2)33(41)38-31(13-21-11-24(35)17-25(36)12-21)32(40)30-18-29(19-37-30)45-27-8-4-3-5-9-27/h3-5,8-9,11-12,14-17,26,29-32,37,40H,6-7,10,13,18-20H2,1-2H3,(H,38,41)/t26-,29-,30?,31+,32-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in HEK293-APP751swe cells assessed as reduction in amyloid beta (1 to 40) level by sandwich-ELISA meth...				J Med Chem 60: 9807-9820 (2017) Article DOI: 10.1021/acs.jmedchem.7b01304 BindingDB Entry DOI: 10.7270/Q29S1TGX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50397678 (CHEMBL2181880) Show SMILES CO[C@H](C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in HEK293-APP751swe cells assessed as reduction in amyloid beta (1 to 40) level by sandwich-ELISA meth...				J Med Chem 60: 9807-9820 (2017) Article DOI: 10.1021/acs.jmedchem.7b01304 BindingDB Entry DOI: 10.7270/Q29S1TGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137678 (CHEMBL312277 | [(S)-1-((S)-1-{(3S,4S)-1-Benzyl-4-[...) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C40H61N5O7S/c1-25(2)33(37(49)41-24-29-18-14-11-15-19-29)44-35(47)27(5)22-32(46)31(23-28-16-12-10-13-17-28)43-36(48)30(20-21-53-9)42-38(50)34(26(3)4)45-39(51)52-40(6,7)8/h10-19,25-27,30-34,46H,20-24H2,1-9H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t27-,30+,31+,32+,33+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366891 (CHEMBL1790644) Show SMILES CC[C@H](C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C33H49N5O6/c1-7-21(4)29(40)33(44)36-23(6)31(42)37-26(18-24-11-9-8-10-12-24)27(39)17-22(5)30(41)38-28(20(2)3)32(43)35-19-25-13-15-34-16-14-25/h8-16,20-23,26-29,39-40H,7,17-19H2,1-6H3,(H,35,43)(H,36,44)(H,37,42)(H,38,41)/t21-,22+,23-,26-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137699 ((S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C33H48N4O6/c1-20(2)28(32(42)34-19-25-15-11-8-12-16-25)37-30(40)22(5)17-27(38)26(18-24-13-9-7-10-14-24)36-31(41)23(6)35-33(43)29(39)21(3)4/h7-16,20-23,26-29,38-39H,17-19H2,1-6H3,(H,34,42)(H,35,43)(H,36,41)(H,37,40)/t22-,23+,26+,27+,28+,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137686 (CHEMBL78781 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hy...) Show SMILES CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C37H56N6O7/c1-9-13-28(42-36(49)50-37(6,7)8)34(47)40-25(5)33(46)41-29(21-26-14-11-10-12-15-26)30(44)20-24(4)32(45)43-31(23(2)3)35(48)39-22-27-16-18-38-19-17-27/h10-12,14-19,23-25,28-31,44H,9,13,20-22H2,1-8H3,(H,39,48)(H,40,47)(H,41,46)(H,42,49)(H,43,45)/t24-,25+,28+,29+,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366890 (CHEMBL1790594) Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C38H58N6O7/c1-10-24(4)32(44-37(50)51-38(7,8)9)36(49)41-26(6)34(47)42-29(21-27-14-12-11-13-15-27)30(45)20-25(5)33(46)43-31(23(2)3)35(48)40-22-28-16-18-39-19-17-28/h11-19,23-26,29-32,45H,10,20-22H2,1-9H3,(H,40,48)(H,41,49)(H,42,47)(H,43,46)(H,44,50)/t24-,25-,26+,29+,30+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137708 ((S)-5-[(S)-5,5-Difluoro-2-((2S,3S)-2-hydroxy-3-met...) Show SMILES CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCC(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCC(F)F)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C37H53F4N5O6/c1-5-23(4)33(48)37(52)44-27(12-14-31(40)41)35(50)45-28(19-24-9-7-6-8-10-24)29(47)20-26(11-13-30(38)39)34(49)46-32(22(2)3)36(51)43-21-25-15-17-42-18-16-25/h6-10,15-18,22-23,26-33,47-48H,5,11-14,19-21H2,1-4H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)/t23-,26+,27-,28-,29-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137681 (CHEMBL81490 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hy...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C36H52F2N6O7/c1-21(2)30(34(49)40-20-25-13-15-39-16-14-25)44-31(46)22(3)17-28(45)26(18-24-11-9-8-10-12-24)42-32(47)23(4)41-33(48)27(19-29(37)38)43-35(50)51-36(5,6)7/h8-16,21-23,26-30,45H,17-20H2,1-7H3,(H,40,49)(H,41,48)(H,42,47)(H,43,50)(H,44,46)/t22-,23+,26+,27+,28+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50136343 (CHEMBL137755 | Glu-Val-Asn-statine-Val-Ala-Glu-Phe) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C44H69N9O15/c1-21(2)17-28(49-41(64)29(19-32(46)55)50-43(66)37(23(5)6)53-39(62)26(45)13-15-34(57)58)31(54)20-33(56)52-36(22(3)4)42(65)47-24(7)38(61)48-27(14-16-35(59)60)40(63)51-30(44(67)68)18-25-11-9-8-10-12-25/h8-12,21-24,26-31,36-37,54H,13-20,45H2,1-7H3,(H2,46,55)(H,47,65)(H,48,61)(H,49,64)(H,50,66)(H,51,63)(H,52,56)(H,53,62)(H,57,58)(H,59,60)(H,67,68)/t24-,26-,27-,28-,29-,30-,31-,36-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137691 ((S)-5-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyryl...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)(C)O Show InChI InChI=1S/C46H72N8O15/c1-24(2)38(54-41(63)29(47)16-18-36(57)58)44(66)52-32(23-35(48)56)43(65)51-31(20-26-12-8-6-9-13-26)34(55)22-28(46(4,5)69)40(62)49-25(3)39(61)50-30(17-19-37(59)60)42(64)53-33(45(67)68)21-27-14-10-7-11-15-27/h7,10-11,14-15,24-26,28-34,38,55,69H,6,8-9,12-13,16-23,47H2,1-5H3,(H2,48,56)(H,49,62)(H,50,61)(H,51,65)(H,52,66)(H,53,64)(H,54,63)(H,57,58)(H,59,60)(H,67,68)/t25-,28-,29+,30-,31+,32+,33-,34+,38+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50136347 (CHEMBL335837 | Glu-Val-Met-statine-Val-Ala-Glu-Phe) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C45H72N8O14S/c1-23(2)20-31(50-42(63)30(18-19-68-8)49-44(65)38(25(5)6)53-40(61)28(46)14-16-35(56)57)33(54)22-34(55)52-37(24(3)4)43(64)47-26(7)39(60)48-29(15-17-36(58)59)41(62)51-32(45(66)67)21-27-12-10-9-11-13-27/h9-13,23-26,28-33,37-38,54H,14-22,46H2,1-8H3,(H,47,64)(H,48,60)(H,49,65)(H,50,63)(H,51,62)(H,52,55)(H,53,61)(H,56,57)(H,58,59)(H,66,67)/t26-,28-,29-,30-,31-,32-,33-,37-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137693 (CHEMBL81037 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hy...) Show SMILES CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C39H60N6O7S/c1-9-13-29(44-38(51)52-39(5,6)7)35(48)42-30(18-21-53-8)36(49)43-31(23-27-14-11-10-12-15-27)32(46)22-26(4)34(47)45-33(25(2)3)37(50)41-24-28-16-19-40-20-17-28/h10-12,14-17,19-20,25-26,29-33,46H,9,13,18,21-24H2,1-8H3,(H,41,50)(H,42,48)(H,43,49)(H,44,51)(H,45,47)/t26-,29+,30+,31+,32+,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137697 ((S)-2-Ethyl-4-(S)-hydroxy-5-[(S)-2-((S)-2-hydroxy-...) Show SMILES CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C35H52N4O6/c1-8-26(33(43)39-30(21(2)3)34(44)36-23(6)27-17-13-10-14-18-27)20-29(40)28(19-25-15-11-9-12-16-25)38-32(42)24(7)37-35(45)31(41)22(4)5/h9-18,21-24,26,28-31,40-41H,8,19-20H2,1-7H3,(H,36,44)(H,37,45)(H,38,42)(H,39,43)/t23-,24-,26+,28-,29-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137683 (CHEMBL309884 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-h...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C38H58N6O7/c1-23(2)19-30(43-37(50)51-38(7,8)9)35(48)41-26(6)34(47)42-29(21-27-13-11-10-12-14-27)31(45)20-25(5)33(46)44-32(24(3)4)36(49)40-22-28-15-17-39-18-16-28/h10-18,23-26,29-32,45H,19-22H2,1-9H3,(H,40,49)(H,41,48)(H,42,47)(H,43,50)(H,44,46)/t25-,26+,29+,30+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM15805 (Macrocyclic BACE inhibitor 7 | tert-butyl N-[(2S)-...) Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H](NC(=O)[C@@H]1C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 |r| Show InChI InChI=1S/C36H60N6O7/c1-10-23(4)30(41-35(48)49-36(7,8)9)34(47)42-19-13-11-12-14-27(39-32(45)25(42)6)28(43)20-24(5)31(44)40-29(22(2)3)33(46)38-21-26-15-17-37-18-16-26/h15-18,22-25,27-30,43H,10-14,19-21H2,1-9H3,(H,38,46)(H,39,45)(H,40,44)(H,41,48)/t23?,24-,25+,27+,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	4.6	22
Lilly S.A.					Assay Description The substrate is linked to a fluorescent dye on one end and to a quenching group on its other end. The fluorescence of the substrate is significantly...				Bioorg Med Chem Lett 16: 191-5 (2006) Article DOI: 10.1016/j.bmcl.2005.09.003 BindingDB Entry DOI: 10.7270/Q2FJ2F26
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137706 ((S)-5-[(S)-5-Fluoro-2-((2S,3S)-2-hydroxy-3-methyl-...) Show SMILES CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCCF)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCF)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C37H55F2N5O6/c1-5-25(4)33(46)37(50)42-29(14-10-18-39)35(48)43-30(21-26-11-7-6-8-12-26)31(45)22-28(13-9-17-38)34(47)44-32(24(2)3)36(49)41-23-27-15-19-40-20-16-27/h6-8,11-12,15-16,19-20,24-25,28-33,45-46H,5,9-10,13-14,17-18,21-23H2,1-4H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)/t25-,28+,29-,30-,31-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366850 (CHEMBL1791017) Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCCO1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O Show InChI InChI=1S/C36H57N5O9/c1-8-22(6)31(41-33(45)28-14-9-10-15-50-28)35(47)38-23(7)32(44)39-26(16-20(2)3)27(42)18-29(43)40-30(21(4)5)34(46)37-19-24-12-11-13-25(17-24)36(48)49/h11-13,17,20-23,26-28,30-31,42H,8-10,14-16,18-19H2,1-7H3,(H,37,46)(H,38,47)(H,39,44)(H,40,43)(H,41,45)(H,48,49)/t22-,23-,26-,27-,28?,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137690 (CHEMBL310452 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-h...) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C39H60N6O7S/c1-24(2)32(36(49)41-23-28-15-18-40-19-16-28)44-34(47)26(5)21-31(46)30(22-27-13-11-10-12-14-27)43-35(48)29(17-20-53-9)42-37(50)33(25(3)4)45-38(51)52-39(6,7)8/h10-16,18-19,24-26,29-33,46H,17,20-23H2,1-9H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t26-,29+,30+,31+,32+,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137684 (CHEMBL78459 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hy...) Show SMILES CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C36H54N6O7/c1-9-27(41-35(48)49-36(6,7)8)33(46)39-24(5)32(45)40-28(20-25-13-11-10-12-14-25)29(43)19-23(4)31(44)42-30(22(2)3)34(47)38-21-26-15-17-37-18-16-26/h10-18,22-24,27-30,43H,9,19-21H2,1-8H3,(H,38,47)(H,39,46)(H,40,45)(H,41,48)(H,42,44)/t23-,24+,27+,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50250536 (CHEMBL4077530) Show SMILES Cl.[H][C@@]1(CO[C@@H](OCC(C)(C)C)[C@H](C)N1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r| Show InChI InChI=1S/C21H32F2N2O4.ClH/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14;/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26);1H/t12-,17-,18+,19-,20-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Inhibition of Fc-fused BACE1 (1 to 460 residues) (unknown origin) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by fluore...				J Med Chem 60: 9807-9820 (2017) Article DOI: 10.1021/acs.jmedchem.7b01304 BindingDB Entry DOI: 10.7270/Q29S1TGX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM15799 (CHEMBL81671 | Macrocyclic BACE inhibitor 1 | tert-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 |r| Show InChI InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25+,28+,29+,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM15799 (CHEMBL81671 | Macrocyclic BACE inhibitor 1 | tert-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 |r| Show InChI InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25+,28+,29+,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM15799 (CHEMBL81671 | Macrocyclic BACE inhibitor 1 | tert-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 |r| Show InChI InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25+,28+,29+,30+,31+/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	82	n/a	n/a	n/a	n/a	4.6	22
Lilly S.A.					Assay Description The substrate is linked to a fluorescent dye on one end and to a quenching group on its other end. The fluorescence of the substrate is significantly...				Bioorg Med Chem Lett 16: 191-5 (2006) Article DOI: 10.1016/j.bmcl.2005.09.003 BindingDB Entry DOI: 10.7270/Q2FJ2F26
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366842 (CHEMBL1791018) Show SMILES CCCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O Show InChI InChI=1S/C35H57N5O8S/c1-8-10-14-26(32(44)36-20-24-12-11-13-25(18-24)35(47)48)38-30(43)19-29(42)28(17-21(3)4)40-33(45)27(15-16-49-7)39-34(46)31(22(5)9-2)37-23(6)41/h11-13,18,21-22,26-29,31,42H,8-10,14-17,19-20H2,1-7H3,(H,36,44)(H,37,41)(H,38,43)(H,39,46)(H,40,45)(H,47,48)/t22-,26-,27-,28-,29-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50250536 (CHEMBL4077530) Show SMILES Cl.[H][C@@]1(CO[C@@H](OCC(C)(C)C)[C@H](C)N1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r| Show InChI InChI=1S/C21H32F2N2O4.ClH/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14;/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26);1H/t12-,17-,18+,19-,20-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in HEK293-APP751swe cells assessed as reduction in amyloid beta (1 to 40) level by sandwich-ELISA meth...				J Med Chem 60: 9807-9820 (2017) Article DOI: 10.1021/acs.jmedchem.7b01304 BindingDB Entry DOI: 10.7270/Q29S1TGX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366843 (CHEMBL1791010) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O Show InChI InChI=1S/C38H55N5O9S/c1-7-23(4)34(40-24(5)44)37(50)42-29(15-16-53-6)36(49)43-30(17-22(2)3)32(46)20-33(47)41-31(19-25-11-13-28(45)14-12-25)35(48)39-21-26-9-8-10-27(18-26)38(51)52/h8-14,18,22-23,29-32,34,45-46H,7,15-17,19-21H2,1-6H3,(H,39,48)(H,40,44)(H,41,47)(H,42,50)(H,43,49)(H,51,52)/t23-,29-,30-,31-,32-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50250530 (CHEMBL4081363) Show SMILES Cl.[H][C@@]1(CO[C@@H](OCC2CCCCC2)[C@H](C)N1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r| Show InChI InChI=1S/C23H34F2N2O4.ClH/c1-14-23(30-12-16-6-4-3-5-7-16)31-13-21(26-14)22(29)20(27-15(2)28)10-17-8-18(24)11-19(25)9-17;/h8-9,11,14,16,20-23,26,29H,3-7,10,12-13H2,1-2H3,(H,27,28);1H/t14-,20-,21+,22-,23+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Inhibition of Fc-fused BACE1 (1 to 460 residues) (unknown origin) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by fluore...				J Med Chem 60: 9807-9820 (2017) Article DOI: 10.1021/acs.jmedchem.7b01304 BindingDB Entry DOI: 10.7270/Q29S1TGX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137694 ((S)-2-Ethyl-4-(S)-hydroxy-5-[(S)-2-((S)-2-hydroxy-...) Show SMILES CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C35H52N4O6/c1-8-26(33(43)39-30(21(2)3)34(44)36-23(6)27-17-13-10-14-18-27)20-29(40)28(19-25-15-11-9-12-16-25)38-32(42)24(7)37-35(45)31(41)22(4)5/h9-18,21-24,26,28-31,40-41H,8,19-20H2,1-7H3,(H,36,44)(H,37,45)(H,38,42)(H,39,43)/t23-,24+,26-,28+,29+,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50250527 (CHEMBL4066837) Show SMILES Cl.[H][C@@]1(CCCN1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N[C@@H](C)CC)nc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H34N4O4S.ClH/c1-4-16(2)26-21-14-18(15-22(28-21)33(3,31)32)24(30)27-20(13-17-9-6-5-7-10-17)23(29)19-11-8-12-25-19;/h5-7,9-10,14-16,19-20,23,25,29H,4,8,11-13H2,1-3H3,(H,26,28)(H,27,30);1H/t16-,19+,20-,23+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in HEK293-APP751swe cells assessed as reduction in amyloid beta (1 to 40) level by sandwich-ELISA meth...				J Med Chem 60: 9807-9820 (2017) Article DOI: 10.1021/acs.jmedchem.7b01304 BindingDB Entry DOI: 10.7270/Q29S1TGX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50136339 ((S)-4-{(S)-2-[(S)-2-((3S,4S)-4-{(S)-2-[(S)-2-((S)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C43H68N8O14/c1-21(2)18-29(48-38(59)25(8)46-42(63)36(23(5)6)51-39(60)27(44)14-16-33(54)55)31(52)20-32(53)50-35(22(3)4)41(62)45-24(7)37(58)47-28(15-17-34(56)57)40(61)49-30(43(64)65)19-26-12-10-9-11-13-26/h9-13,21-25,27-31,35-36,52H,14-20,44H2,1-8H3,(H,45,62)(H,46,63)(H,47,58)(H,48,59)(H,49,61)(H,50,53)(H,51,60)(H,54,55)(H,56,57)(H,64,65)/t24-,25-,27-,28-,29-,30-,31-,35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50136333 ((S)-4-{(S)-2-[(S)-2-((3S,4S)-4-{(S)-2-[(S)-2-((S)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(N)=O Show InChI InChI=1S/C35H61N9O13/c1-15(2)12-21(41-33(55)22(13-24(37)46)42-35(57)29(17(5)6)44-32(54)19(36)8-10-26(48)49)23(45)14-25(47)43-28(16(3)4)34(56)39-18(7)31(53)40-20(30(38)52)9-11-27(50)51/h15-23,28-29,45H,8-14,36H2,1-7H3,(H2,37,46)(H2,38,52)(H,39,56)(H,40,53)(H,41,55)(H,42,57)(H,43,47)(H,44,54)(H,48,49)(H,50,51)/t18-,19-,20-,21-,22-,23-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibitory activity against human brain beta-APP (amyloid precursor protein) cleaving enzyme Beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366847 (CHEMBL1791012) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O Show InChI InChI=1S/C36H51N5O9/c1-7-21(4)32(39-23(6)42)35(48)38-22(5)33(46)41-28(15-20(2)3)30(44)18-31(45)40-29(17-24-11-13-27(43)14-12-24)34(47)37-19-25-9-8-10-26(16-25)36(49)50/h8-14,16,20-22,28-30,32,43-44H,7,15,17-19H2,1-6H3,(H,37,47)(H,38,48)(H,39,42)(H,40,45)(H,41,46)(H,49,50)/t21-,22-,28-,29-,30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137682 (CHEMBL82594 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hy...) Show SMILES COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C36H54N6O8/c1-22(2)30(34(47)38-20-26-14-16-37-17-15-26)42-31(44)23(3)18-29(43)27(19-25-12-10-9-11-13-25)40-32(45)24(4)39-33(46)28(21-49-8)41-35(48)50-36(5,6)7/h9-17,22-24,27-30,43H,18-21H2,1-8H3,(H,38,47)(H,39,46)(H,40,45)(H,41,48)(H,42,44)/t23-,24+,27+,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137688 (CHEMBL314014 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-h...) Show SMILES COCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C39H60N6O8/c1-24(2)32(36(49)41-23-28-15-18-40-19-16-28)44-34(47)26(5)21-31(46)30(22-27-13-11-10-12-14-27)43-35(48)29(17-20-52-9)42-37(50)33(25(3)4)45-38(51)53-39(6,7)8/h10-16,18-19,24-26,29-33,46H,17,20-23H2,1-9H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t26-,29+,30+,31+,32+,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.				Bioorg Med Chem Lett 14: 239-43 (2003) BindingDB Entry DOI: 10.7270/Q2MW2HP3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366851 (CHEMBL1791016) Show SMILES CCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O Show InChI InChI=1S/C34H55N5O8S/c1-8-11-25(31(43)35-19-23-12-10-13-24(17-23)34(46)47)37-29(42)18-28(41)27(16-20(3)4)39-32(44)26(14-15-48-7)38-33(45)30(21(5)9-2)36-22(6)40/h10,12-13,17,20-21,25-28,30,41H,8-9,11,14-16,18-19H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,45)(H,39,44)(H,46,47)/t21-,25-,26-,27-,28-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137710 ((2S,3S)-4-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C32H47N5O6/c1-19(2)27(31(42)34-18-24-12-14-33-15-13-24)37-29(40)21(5)16-26(38)25(17-23-10-8-7-9-11-23)36-30(41)22(6)35-32(43)28(39)20(3)4/h7-15,19-22,25-28,38-39H,16-18H2,1-6H3,(H,34,42)(H,35,43)(H,36,41)(H,37,40)/t21-,22+,25+,26+,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366849 (CHEMBL1791011) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)C(O)=O Show InChI InChI=1S/C38H55N5O8S/c1-7-24(4)34(40-25(5)44)37(49)42-29(16-17-52-6)36(48)43-30(18-23(2)3)32(45)21-33(46)41-31(20-26-12-9-8-10-13-26)35(47)39-22-27-14-11-15-28(19-27)38(50)51/h8-15,19,23-24,29-32,34,45H,7,16-18,20-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)(H,42,49)(H,43,48)(H,50,51)/t24-,29-,30-,31-,32-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50136342 (CHEMBL134730 | Glu-Val-Met-statine-Leu-Ala-Glu-Phe) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C46H74N8O14S/c1-24(2)20-32(52-43(64)31(18-19-69-8)51-45(66)39(26(5)6)54-41(62)29(47)14-16-37(57)58)35(55)23-36(56)49-33(21-25(3)4)44(65)48-27(7)40(61)50-30(15-17-38(59)60)42(63)53-34(46(67)68)22-28-12-10-9-11-13-28/h9-13,24-27,29-35,39,55H,14-23,47H2,1-8H3,(H,48,65)(H,49,56)(H,50,61)(H,51,66)(H,52,64)(H,53,63)(H,54,62)(H,57,58)(H,59,60)(H,67,68)/t27-,29-,30-,31-,32-,33-,34-,35-,39-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137695 ((S)-4-(S)-Hydroxy-5-[(S)-2-((2S,3S)-2-hydroxy-3-me...) Show SMILES CC[C@H](C)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C39H61N5O6/c1-9-27(8)35(46)39(50)43-32(20-25(4)5)37(48)42-31(21-28-13-11-10-12-14-28)33(45)22-30(19-24(2)3)36(47)44-34(26(6)7)38(49)41-23-29-15-17-40-18-16-29/h10-18,24-27,30-35,45-46H,9,19-23H2,1-8H3,(H,41,49)(H,42,48)(H,43,50)(H,44,47)/t27-,30+,31-,32-,33-,34-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366846 (CHEMBL1791009) Show SMILES CCCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O Show InChI InChI=1S/C33H53N5O8/c1-8-10-14-25(31(43)34-18-23-12-11-13-24(16-23)33(45)46)37-28(41)17-27(40)26(15-19(3)4)38-30(42)21(6)35-32(44)29(20(5)9-2)36-22(7)39/h11-13,16,19-21,25-27,29,40H,8-10,14-15,17-18H2,1-7H3,(H,34,43)(H,35,44)(H,36,39)(H,37,41)(H,38,42)(H,45,46)/t20-,21-,25-,26-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137705 ((S)-5-[(S)-2-((S)-2-Amino-3-methyl-butyrylamino)-1...) Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C32H48N6O5/c1-19(2)27(33)31(42)36-22(6)30(41)37-25(17-23-10-8-7-9-11-23)26(39)16-21(5)29(40)38-28(20(3)4)32(43)35-18-24-12-14-34-15-13-24/h7-15,19-22,25-28,39H,16-18,33H2,1-6H3,(H,35,43)(H,36,42)(H,37,41)(H,38,40)/t21-,22+,25+,26+,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50250530 (CHEMBL4081363) Show SMILES Cl.[H][C@@]1(CO[C@@H](OCC2CCCCC2)[C@H](C)N1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r| Show InChI InChI=1S/C23H34F2N2O4.ClH/c1-14-23(30-12-16-6-4-3-5-7-16)31-13-21(26-14)22(29)20(27-15(2)28)10-17-8-18(24)11-19(25)9-17;/h8-9,11,14,16,20-23,26,29H,3-7,10,12-13H2,1-2H3,(H,27,28);1H/t14-,20-,21+,22-,23+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in HEK293-APP751swe cells assessed as reduction in amyloid beta (1 to 40) level by sandwich-ELISA meth...				J Med Chem 60: 9807-9820 (2017) Article DOI: 10.1021/acs.jmedchem.7b01304 BindingDB Entry DOI: 10.7270/Q29S1TGX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50250529 (CHEMBL4089395) Show SMILES OC(=O)C(F)(F)F.[H][C@@]1(CO[C@H](CN1)OCC1CCCCC1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r| Show InChI InChI=1S/C22H32F2N2O4.C2HF3O2/c1-14(27)26-19(9-16-7-17(23)10-18(24)8-16)22(28)20-13-30-21(11-25-20)29-12-15-5-3-2-4-6-15;3-2(4,5)1(6)7/h7-8,10,15,19-22,25,28H,2-6,9,11-13H2,1H3,(H,26,27);(H,6,7)/t19-,20+,21+,22-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Lilly SA Curated by ChEMBL					Assay Description Inhibition of Fc-fused BACE1 (1 to 460 residues) (unknown origin) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by fluore...				J Med Chem 60: 9807-9820 (2017) Article DOI: 10.1021/acs.jmedchem.7b01304 BindingDB Entry DOI: 10.7270/Q29S1TGX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50366848 (CHEMBL1791021) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C46H74N8O14S/c1-9-26(6)39(45(66)48-27(7)40(61)49-30(16-18-37(59)60)42(63)52-33(46(67)68)22-28-13-11-10-12-14-28)53-35(56)23-34(55)32(21-24(2)3)51-43(64)31(19-20-69-8)50-44(65)38(25(4)5)54-41(62)29(47)15-17-36(57)58/h10-14,24-27,29-34,38-39,55H,9,15-23,47H2,1-8H3,(H,48,66)(H,49,61)(H,50,65)(H,51,64)(H,52,63)(H,53,56)(H,54,62)(H,57,58)(H,59,60)(H,67,68)/t26-,27-,29-,30-,31-,32-,33-,34-,38-,39-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50137704 ((S)-4-(S)-Hydroxy-2-methyl-6-phenyl-5-[(S)-2-((S)-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)CC(F)(F)F)C(=O)NCc1ccncc1 Show InChI InChI=1S/C31H42F3N5O6/c1-18(2)26(30(45)36-17-22-10-12-35-13-11-22)39-27(42)19(3)14-24(40)23(15-21-8-6-5-7-9-21)38-28(43)20(4)37-29(44)25(41)16-31(32,33)34/h5-13,18-20,23-26,40-41H,14-17H2,1-4H3,(H,36,45)(H,37,44)(H,38,43)(H,39,42)/t19-,20+,23+,24+,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells				Bioorg Med Chem Lett 14: 245-50 (2003) BindingDB Entry DOI: 10.7270/Q2H41S0J
					More data for this Ligand-Target Pair

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