TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T79031	Beta-secretase 1	D08SKH	Methoxsalen	Approved	4114	C12H8O4	216.19	COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	D00VUI	Psoralen	Phase 3	6199	C11H6O3	186.16	C1=CC(=O)OC2=CC3=C(C=CO3)C=C21	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	D07SDQ	Curcumin	Phase 3	969516	C21H20O6	368.4	COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O	IC50 = 343000 nM	Non binder
T79031	Beta-secretase 1	D0QR5G	5-methoxypsoralen	Phase 3	2355	C12H8O4	216.19	COC1=C2C=CC(=O)OC2=CC3=C1C=CO3	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	D0RN2X	PMID27841045-Compound-129	Patented	442126	C19H20O5	328.4	CC(=CC(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	D01OLO	AS602868	Discontinued in Phase 1	10658	C11H6O3	186.16	C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	B01PEV	4-(6-Oxo-7,7-diphenylheptanamido)butanoic acid	Investigative	46906685	C23H27NO4	381.5	C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)CCCCC(=O)NCCCC(=O)O	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	B0CPV5	(6S)-2-Amino-3,6-dimethyl-6-[(1R,2S)-2-phenylcyclopropyl]-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid	Investigative	73352584	C17H20F3N3O3	371.35	C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@@H]2C3=CC=CC=C3.C(=O)(C(F)(F)F)O	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	B0IS9Y	[(3R)-3-Benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone	Investigative	57396216	C22H26N2O2	350.5	C1COC[C@H](N1C(=O)[C@@H]2CNC[C@H]2C3=CC=CC=C3)CC4=CC=CC=C4	IC50 = 240000 nM	Non binder
T79031	Beta-secretase 1	B0KEG6	N-[(2S,3S)-4-[[(2S)-1-(Cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylsulfonylbenzamide	Investigative	44454574	C27H37N3O5S	515.7	C[C@@H](C(=O)NC1CCCCC1)NC[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	B0VQF6	3-Methyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoic acid	Investigative	3750579	C17H23N3O6	365.4	CC(C)C(C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	B12OHR	(4S)-4-Amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-4-[[(1S)-1-carboxybutyl]amino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid	Investigative	122185940	C33H47N5O9S	689.8	CCC[C@@H](C(=O)O)NC(=O)[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CS2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)N)O	IC50 = 870000 nM	Non binder
T79031	Beta-secretase 1	B18RTM	2-Amino-3-methyl-6-[(1R,2S)-2-phenylcyclopropyl]pyrimidin-4-one	Investigative	71460630	C14H15N3O	241.29	CN1C(=O)C=C(N=C1N)[C@@H]2C[C@@H]2C3=CC=CC=C3	IC50 = 619000 nM	Non binder
T79031	Beta-secretase 1	B19QBM	4-(2-Amino-5-chlorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide	Investigative	49864532	C17H18ClN5O	343.8	C1=CC=NC(=C1)CNC(=O)CCCN2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 426000 nM	Non binder
T79031	Beta-secretase 1	B24LTF	Dihydroxanthyletin	Investigative	10466390	C14H14O3	230.26	CC1(CCC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	B2AXE6	6,7-Furano-8a-methoxy-5-prenyloxy hydrocoumaric acid	Investigative	46229699	C17H20O5	304.34	CC(=CCOC1=C2C=COC2=CC(=C1CCC(=O)O)OC)C	IC50 = 203300 nM	Non binder
T79031	Beta-secretase 1	B2CMP7	9-Hydroxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one	Investigative	21826766	C16H14O5	286.28	CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	B2N1SL	Phenyl-substituted sulfonamides, 6a	Investigative	44236883	C30H33N3O4S2	563.7	C1=CC=C(C=C1)CN(CCNCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	B2UG6E	(4S)-4-[[(2S)-2-[[(2R)-1-[4-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic acid	Investigative	44322068	C42H65N7O12S	892.1	C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H]2CCCN2C(=O)CC(C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)C)O	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	B37URV	(2R)-2-[(6-Chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]-3-phenylpropanoic acid	Investigative	136239432	C20H21ClN2O2	356.8	CC1(CC2=C(C=CC(=C2)Cl)C(=N[C@H](CC3=CC=CC=C3)C(=O)O)N1)C	IC50 = 263800 nM	Non binder
T79031	Beta-secretase 1	B3L7RE	Chembl415810	Investigative	16149773	C74H116N16O30	1709.8	CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)OC(=O)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)N	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	B3ODZ2	N-[(2R,3S)-1-[[(2S)-1-(Cyclohexylamino)-1-oxopropan-2-yl]amino]-2-hydroxy-5-methylhexan-3-yl]-3-methylsulfonylbenzamide	Investigative	44454576	C24H39N3O5S	481.7	C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	B3R1MY	Chembl267608	Investigative	73348463	C88H142N24O35	2096.199	CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)N	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	B3XA9S	2-Amino-6-[2-[4-(3-ethylsulfanylphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one	Investigative	71456950	C21H23N3OS	365.5	CCSC1=CC=CC(=C1)C2=CC=C(C=C2)CCC3=CC(=O)N(C(=N3)N)C	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	B42MWX	2-Amino-6-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-3-methylpyrimidin-4-one	Investigative	71458818	C14H14BrN3O	320.18	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2C3=CC(=CC=C3)Br	IC50 = 502000 nM	Non binder
T79031	Beta-secretase 1	B43EIS	6-Chloro-3,3-dimethyl-N-[1-(4-methylpyrimidin-2-yl)-2-phenylethyl]-2,4-dihydroisoquinolin-1-imine	Investigative	136219151	C24H25ClN4	404.9	CC1=NC(=NC=C1)C(CC2=CC=CC=C2)N=C3C4=C(CC(N3)(C)C)C=C(C=C4)Cl	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	B47OED	Aminopyrimidine, 11	Investigative	25138208	C23H20N4O2S	416.5	CS(=O)(=O)NC1=C(C=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4	IC50 > 600000 nM	Non binder
T79031	Beta-secretase 1	B57JVE	Auraptene	Investigative	1550607	C19H22O3	298.4	CC(=CCC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)C	IC50 = 345100 nM	Non binder
T79031	Beta-secretase 1	B5BU4M	Oxypeucedanin hydrate	Investigative	17536	C16H16O6	304.29	CC(C)([C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	B5FM1T	Oxypseucedanin	Investigative	33306	C16H14O5	286.28	CC1([C@@H](O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C	IC50 = 359200 nM	Non binder
T79031	Beta-secretase 1	B5WRO0	3-(2-Amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol	Investigative	2950966	C10H12ClN3O	225.67	C1=CC2=C(C=C1Cl)N=C(N2CCCO)N	IC50 = 770000 nM	Non binder
T79031	Beta-secretase 1	B6JO1T	4-(1-Phenylcyclopentyl)-2-Thiazolamine	Investigative	789289	C14H16N2S	244.36	C1CCC(C1)(C2=CC=CC=C2)C3=CSC(=N3)N	IC50 = 217000 nM	Non binder
T79031	Beta-secretase 1	B6T1WE	(3S)-3-(2-Amino-5-chlorobenzimidazol-1-yl)-5-methyl-N-propan-2-ylhexanamide	Investigative	49864667	C17H25ClN4O	336.9	CC(C)C[C@@H](CC(=O)NC(C)C)N1C2=C(C=C(C=C2)Cl)N=C1N	IC50 = 246000 nM	Non binder
T79031	Beta-secretase 1	B6WTG3	N''-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-2-(2-phenoxyethoxy)benzohydrazide	Investigative	136016387	C23H21BrN2O5	485.3	COC1=C(C(=CC(=C1)/C=N\\NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3)Br)O	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	B6ZUS8	2-Amino-6-[(1S,2R)-2-[3-(3-aminophenyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one	Investigative	71614885	C20H20N4O	332.4	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2C3=CC=CC(=C3)C4=CC(=CC=C4)N	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	B7MR8Q	(3S)-3-(2-Amino-5-chlorobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]pentanamide	Investigative	49864725	C19H20ClFN4O	374.8	CC[C@@H](CC(=O)NCC1=CC(=CC=C1)F)N2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 340000 nM	Non binder
T79031	Beta-secretase 1	B7VS5E	2-Amino-3-methyl-6-[2-[3-(2-phenylethyl)phenyl]ethyl]pyrimidin-4-one	Investigative	71615092	C21H23N3O	333.4	CN1C(=O)C=C(N=C1N)CCC2=CC=CC(=C2)CCC3=CC=CC=C3	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	B80TXL	Ninhydrin	Investigative	10236	C9H6O4	178.14	C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O	IC50 = 776000 nM	Non binder
T79031	Beta-secretase 1	B8AX0Q	N-[[4-(Aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide;2,2,2-trifluoroacetic acid	Investigative	71719252	C24H23F3N2O3	444.4	C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NCC3=CC=C(C=C3)CN.C(=O)(C(F)(F)F)O	IC50 = 323000 nM	Non binder
T79031	Beta-secretase 1	B8DVZ6	7-Prenyloxycoumarin	Investigative	320362	C14H14O3	230.26	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	B8RG9E	Marmesin	Investigative	334704	C14H14O4	246.26	CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	B8S3XB	1H-Benzimidazol-2-amine, 5-chloro-	Investigative	21527	C7H6ClN3	167.59	C1=CC2=C(C=C1Cl)NC(=N2)N	IC50 = 731000 nM	Non binder
T79031	Beta-secretase 1	B96CMN	2-Amino-3-methyl-6-[(1S,2R)-2-[3-(2-phenylethynyl)phenyl]cyclopropyl]pyrimidin-4-one	Investigative	71615087	C22H19N3O	341.4	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2C3=CC=CC(=C3)C#CC4=CC=CC=C4	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	B96MSA	8-Hydroxybergapten	Investigative	3083726	C12H8O5	232.19	COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	B9DL5S	(3S)-3-(2-Amino-5-chlorobenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)pentanamide	Investigative	49864669	C18H26ClN5O2	379.9	CC[C@@H](CC(=O)NCCN1CCOCC1)N2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 440000 nM	Non binder
T79031	Beta-secretase 1	B9EI4Y	2-Amino-6-[(1S,2R)-2-(3-benzylphenyl)cyclopropyl]-3-methylpyrimidin-4-one	Investigative	71614889	C21H21N3O	331.4	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2C3=CC=CC(=C3)CC4=CC=CC=C4	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	B9K8EQ	(S)-3-(2-Amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-isopropylpentanamide	Investigative	49864668	C15H21ClN4O	308.8	CC[C@@H](CC(=O)NC(C)C)N1C2=C(C=C(C=C2)Cl)N=C1N	IC50 = 695000 nM	Non binder
T79031	Beta-secretase 1	B9KJ5V	(S)-3-(2-Amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclopropylmethyl)pentanamide	Investigative	49864670	C16H21ClN4O	320.82	CC[C@@H](CC(=O)NCC1CC1)N2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 243000 nM	Non binder
T79031	Beta-secretase 1	B9TP2U	4-(2-Amino-5-chlorobenzimidazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide	Investigative	49864531	C17H24ClN5O	349.9	C1CNCC1CCNC(=O)CCCN2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 444000 nM	Non binder
T79031	Beta-secretase 1	B9TVS4	Iso-butyl-substituted sulfonamide, 9a	Investigative	44236888	C24H37N3O4S2	495.7	CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	B9W4HA	8-Bromoquinolin-2-amine	Investigative	33746207	C9H7BrN2	223.07	C1=CC2=C(C(=C1)Br)N=C(C=C2)N	IC50 = 562000 nM	Non binder
T79031	Beta-secretase 1	BB03OK	2-(2-(2-(2-Oxo-4-propyl-2H-chromen-7-yloxy)acetamido)acetamido)acetic acid	Investigative	1796032	C18H20N2O7	376.4	CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC(=O)NCC(=O)O	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BB0KN5	(6R)-2-Amino-3,6-dimethyl-6-[(1S,2R)-2-phenylcyclopropyl]-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid	Investigative	72204556	C17H20F3N3O3	371.35	C[C@@]1(CC(=O)N(C(=N1)N)C)[C@H]2C[C@H]2C3=CC=CC=C3.C(=O)(C(F)(F)F)O	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BB3W7P	(3S)-3-(2-Amino-5-chlorobenzimidazol-1-yl)-N-(cyclohexylmethyl)-N-methylpentanamide	Investigative	49864691	C20H29ClN4O	376.9	CC[C@@H](CC(=O)N(C)CC1CCCCC1)N2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 375000 nM	Non binder
T79031	Beta-secretase 1	BBQ7L4	(4S)-4-Amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-4-[[(1S)-1-carboxybutyl]amino]-3-hydroxy-4-oxo-1-thiophen-2-ylbutan-2-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid	Investigative	122185866	C31H45N5O9S2	695.9	CCC[C@@H](C(=O)O)NC(=O)[C@H]([C@H](CC1=CC=CS1)NC(=O)[C@H](CC2=CC=CS2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)N)O	IC50 = 870000 nM	Non binder
T79031	Beta-secretase 1	BBW9D3	2-Amino-3-methyl-6-[(1S,2R)-2-[3-[2-(3-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one	Investigative	71615089	C23H25N3O	359.5	CC1=CC(=CC=C1)CCC2=CC(=CC=C2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BBXF56	6-Chloro-3,3-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2,4-dihydroisoquinolin-1-imine	Investigative	136219153	C22H23ClN4O	394.9	CC1=NN=C(O1)C(CC2=CC=CC=C2)N=C3C4=C(CC(N3)(C)C)C=C(C=C4)Cl	IC50 = 339700 nM	Non binder
T79031	Beta-secretase 1	BC4P7H	(1E,4Z,6E)-7-(3,4-Dihydroxyphenyl)-5-hydroxy-1-(1H-indol-3-yl)hepta-1,4,6-trien-3-one	Investigative	73213128	C21H17NO4	347.4	C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)/C=C(/C=C/C3=CC(=C(C=C3)O)O)\\O	IC50 = 450000 nM	Non binder
T79031	Beta-secretase 1	BC56QB	Heraclenin	Investigative	458010	C16H14O5	286.28	CC1([C@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C	IC50 = 443600 nM	Non binder
T79031	Beta-secretase 1	BC5W6K	6-Bromoquinolin-2-amine	Investigative	11183666	C9H7BrN2	223.07	C1=CC2=C(C=CC(=N2)N)C=C1Br	IC50 = 338000 nM	Non binder
T79031	Beta-secretase 1	BD0E8J	(3S)-3-(2-Amino-5-chlorobenzimidazol-1-yl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide	Investigative	49864293	C20H24ClN5O	385.9	CC(C)C[C@@H](CC(=O)NCC1=CC=CC=N1)N2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 235000 nM	Non binder
T79031	Beta-secretase 1	BD1GL7	(1R,2S,6R)-2-[2-Fluoro-5-[(5-fluoro-3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-2-(fluoromethyl)-5-oxa-3-azabicyclo[4.1.0]hept-3-en-4-amine	Investigative	90441951	C21H18F3N5O2	429.4	COC1=CC2=C(C(=NC=C2F)NC3=CC(=C(C=C3)F)[C@@]4([C@H]5C[C@H]5OC(=N4)N)CF)N=C1	IC50 = 430000 nM	Non binder
T79031	Beta-secretase 1	BD49WK	2-Amino-6-(3,4-dichloro-phenyl)-5,6-dihydro-3H-pyrimidin-4-one	Investigative	23730803	C10H9Cl2N3O	258.1	C1C(N=C(NC1=O)N)C2=CC(=C(C=C2)Cl)Cl	IC50 = 480000 nM	Non binder
T79031	Beta-secretase 1	BD52XR	7-Bromoquinolin-2-amine	Investigative	45489778	C9H7BrN2	223.07	C1=CC(=CC2=C1C=CC(=N2)N)Br	IC50 = 460000 nM	Non binder
T79031	Beta-secretase 1	BEZ6K9	2-Aminoquinoline	Investigative	11379	C9H8N2	144.17	C1=CC=C2C(=C1)C=CC(=N2)N	IC50 = 800000 nM	Non binder
T79031	Beta-secretase 1	BF17TI	Heraclenol	Investigative	73253	C16H16O6	304.29	CC(C)([C@@H](COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BFJ02H	(3S)-3-(2-Amino-5-chlorobenzimidazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)pentanamide	Investigative	49864671	C18H26ClN5O	363.9	CC[C@@H](CC(=O)NCCC1CCNC1)N2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 270000 nM	Non binder
T79031	Beta-secretase 1	BFJ6Y3	4-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-9-hydroxyfuro[3,2-g]chromen-7-one	Investigative	57403718	C21H22O5	354.4	CC(=CCC/C(=C/COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O)/C)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BG9J5C	5-(4-Morpholino-3-(p-tolylcarbamoyl)phenylamino)-5-oxopentanoic acid	Investigative	4565067	C23H27N3O5	425.5	CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CCCC(=O)O)N3CCOCC3	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BGCZ73	(6S)-2-Amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid	Investigative	73346530	C16H20F3N3O3	359.34	C[C@@]1(CC(=O)N(C(=N1)N)C)CCC2=CC=CC=C2.C(=O)(C(F)(F)F)O	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BGI2P4	Aminopyrimidine, 12	Investigative	25138209	C20H20N4O2S	380.5	CS(=O)(=O)NC1=C(C=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3)CC=C	IC50 = 570000 nM	Non binder
T79031	Beta-secretase 1	BGP5U1	Xanthyletin	Investigative	65188	C14H12O3	228.24	CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BGT6Q4	6,7-Furano-5-prenyloxy hydrocoumaric acid methyl ester	Investigative	46229698	C17H20O5	304.34	CC(=CCOC1=C(C(=CC2=C1C=CO2)O)CCC(=O)OC)C	IC50 = 203300 nM	Non binder
T79031	Beta-secretase 1	BHK6W3	1,4-Diamino-2,3-bis-(4-ethyl-phenylsulfanyl)-anthraquinone	Investigative	3126028	C30H26N2O2S2	510.7	CCC1=CC=C(C=C1)SC2=C(C3=C(C(=C2SC4=CC=C(C=C4)CC)N)C(=O)C5=CC=CC=C5C3=O)N	IC50 = 253000 nM	Non binder
T79031	Beta-secretase 1	BHQ75L	2-Amino-3-methyl-6-[2-(4-phenylphenyl)ethyl]pyrimidin-4-one	Investigative	71449805	C19H19N3O	305.4	CN1C(=O)C=C(N=C1N)CCC2=CC=C(C=C2)C3=CC=CC=C3	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BHZ49V	2-Amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one	Investigative	71615090	C23H25N3O	359.5	CC1=CC=C(C=C1)CCC2=CC(=CC=C2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BI7KP8	3-(3-Chlorophenyl)imidazo[1,2-a]pyrimidine	Investigative	11413566	C12H8ClN3	229.66	C1=CC(=CC(=C1)Cl)C2=CN=C3N2C=CC=N3	IC50 = 862000 nM	Non binder
T79031	Beta-secretase 1	BIP2V7	1-Methoxy-2-phenyl-1H-imidazo[4,5-b]pyridine	Investigative	1483116	C13H11N3O	225.25	CON1C2=C(N=CC=C2)N=C1C3=CC=CC=C3	IC50 = 928000 nM	Non binder
T79031	Beta-secretase 1	BIT63S	4H-3,1-Benzothiazin-2-amine	Investigative	284056	C8H8N2S	164.23	C1C2=CC=CC=C2N=C(S1)N	IC50 = 790000 nM	Non binder
T79031	Beta-secretase 1	BJ08IC	Carboxamide, 12c	Investigative	44236891	C36H41N3O2	547.7	C1=CC=C(C=C1)CC(=O)N(CCCNCCCN(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3)CC4=CC=CC=C4	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	BJ5D1P	4-(2-Amino-5-chlorobenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)butanamide	Investigative	49864534	C17H24ClN5O	349.9	CN1CCC(CC1)NC(=O)CCCN2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 325000 nM	Non binder
T79031	Beta-secretase 1	BJ62EZ	2-(2,4-Dichlorobenzylamino)-2-oxoethyl 2-hydroxy-3-methoxybenzoate	Investigative	46906726	C17H15Cl2NO5	384.2	COC1=CC=CC(=C1O)C(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BJL95A	(6R)-2-Amino-3,6-dimethyl-6-[(1R,2S)-2-phenylcyclopropyl]-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid	Investigative	72205117	C17H20F3N3O3	371.35	C[C@@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@@H]2C3=CC=CC=C3.C(=O)(C(F)(F)F)O	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BK2CR6	2-Amino-3-methyl-6-[(1S,2R)-2-[3-[(E)-2-phenylethenyl]phenyl]cyclopropyl]pyrimidin-4-one	Investigative	71614891	C22H21N3O	343.4	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2C3=CC=CC(=C3)/C=C/C4=CC=CC=C4	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BK3L4C	(6R)-2-Amino-3,6-dimethyl-6-[(1S,2S)-2-phenylcyclopropyl]-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid	Investigative	72204940	C17H20F3N3O3	371.35	C[C@@]1(CC(=O)N(C(=N1)N)C)[C@H]2C[C@@H]2C3=CC=CC=C3.C(=O)(C(F)(F)F)O	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BK7NA3	Demethylsuberosin	Investigative	5316525	C14H14O3	230.26	CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C	IC50 = 412900 nM	Non binder
T79031	Beta-secretase 1	BKZ3I2	2-Amino-6-[(1S,2R)-2-[3-[3-(dimethylamino)phenyl]phenyl]cyclopropyl]-3-methylpyrimidin-4-one	Investigative	71614691	C22H24N4O	360.5	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2C3=CC=CC(=C3)C4=CC(=CC=C4)N(C)C	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BL06ZG	Isopimpinellin	Investigative	68079	C13H10O5	246.21	COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BL1A0N	N-[5-({6-[2-(Dimethylamino)phenyl]pyrimidin-4-yl}amino)-2-methylphenyl]methanesulfonamide	Investigative	25138214	C20H23N5O2S	397.5	CC1=C(C=C(C=C1)NC2=NC=NC(=C2)C3=CC=CC=C3N(C)C)NS(=O)(=O)C	IC50 = 317000 nM	Non binder
T79031	Beta-secretase 1	BLSF75	(6S)-2-Amino-3,6-dimethyl-6-[(1S,2R)-2-phenylcyclopropyl]-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid	Investigative	72204554	C17H20F3N3O3	371.35	C[C@]1(CC(=O)N(C(=N1)N)C)[C@H]2C[C@H]2C3=CC=CC=C3.C(=O)(C(F)(F)F)O	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BLY20G	(1E,4Z,6E)-7-(3,4-Dihydroxyphenyl)-5-hydroxy-1-(2-hydroxyphenyl)hepta-1,4,6-trien-3-one	Investigative	73213045	C19H16O5	324.3	C1=CC=C(C(=C1)/C=C/C(=O)/C=C(/C=C/C2=CC(=C(C=C2)O)O)\\O)O	IC50 = 250000 nM	Non binder
T79031	Beta-secretase 1	BNLR14	N-[(2S,3R)-4-[[(2S)-1-(Cyclohexylamino)-1-oxopropan-2-yl]-methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylsulfonylbenzamide	Investigative	44454575	C28H39N3O5S	529.7	C[C@@H](C(=O)NC1CCCCC1)N(C)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BO2YP3	5-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-2-dimethylamino-N-(3-methoxy-propyl)-benzamide	Investigative	5040262	C22H24F6N4O3	506.4	CN(C)C1=C(C=C(C=C1)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NCCCOC	IC50 = 283900 nM	Non binder
T79031	Beta-secretase 1	BO3C5F	2-(2-((4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yloxy)carbonylamino)acetamido)acetic acid	Investigative	46906988	C17H18N2O7	362.3	CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)NCC(=O)NCC(=O)O	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BO6DT1	(3S)-3-(2-Amino-5-chlorobenzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]pentanamide	Investigative	49864726	C19H20ClFN4O	374.8	CC[C@@H](CC(=O)NCC1=CC=C(C=C1)F)N2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 264000 nM	Non binder
T79031	Beta-secretase 1	BOT8G5	2-{[N-(2-{[(Carboxyethyl)amino]carbonylamino}ethyl)carbamoyl]amino}propanoic a cid	Investigative	3774706	C10H18N4O6	290.27	CC(C(=O)O)NC(=O)NCCNC(=O)NC(C)C(=O)O	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BOY61P	(6R)-2-Amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid	Investigative	72204552	C17H20F3N3O3	371.35	C[C@@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2C3=CC=CC=C3.C(=O)(C(F)(F)F)O	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BPES28	3,3-Dimethyl-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-2,4-dihydroisoquinolin-1-imine	Investigative	136219155	C20H22N6	346.4	CC1(CC2=CC=CC=C2C(=NC(CC3=CC=CC=C3)C4=NNN=N4)N1)C	IC50 = 638600 nM	Non binder
T79031	Beta-secretase 1	BPF63U	Scoparone	Investigative	8417	C11H10O4	206.19	COC1=C(C=C2C(=C1)C=CC(=O)O2)OC	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BPSF13	Chembl405482	Investigative	16148708	C72H114N16O29	1667.8	CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)N	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BPZ02L	[1-(1-{1-[2-(1-Cyclohexylcarbamoyl-2-methyl-propylcarbamoyl)-1-hydroxy-ethyl]-3-methyl-butylcarbamoyl}-3-methylsulfanyl-propylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester	Investigative	44296440	C34H63N5O7S	686	CC(C)CC([C@H](CC(=O)N[C@H](C(C)C)C(=O)NC1CCCCC1)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BQBC28	Carboxamide, 12a	Investigative	44236889	C34H37N3O2	519.7	C1=CC=C(C=C1)CC(=O)N(CCNCCN(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3)CC4=CC=CC=C4	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	BQVH25	[1-(1-{1-[2-(1-Butylcarbamoyl-2-methyl-propylcarbamoyl)-1-hydroxy-ethyl]-3-methyl-butylcarbamoyl}-3-methylsulfanyl-propylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester	Investigative	44296485	C32H61N5O7S	659.9	CCCCNC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)O	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BR30LS	[(3S)-2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (E)-2-methylbut-2-enoate	Investigative	776121	C19H20O5	328.4	C/C=C(\\C)/C(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BR30YJ	Isoimperatorin	Investigative	68081	C16H14O4	270.28	CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	IC50 = 244200 nM	Non binder
T79031	Beta-secretase 1	BS1E0D	N,N'-(Iminodiethane-2,1-Diyl)bis[4-Amino-N-(2-Methylpropyl)benzenesulfonamide]	Investigative	24883482	C24H39N5O4S2	525.7	CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)N)S(=O)(=O)C2=CC=C(C=C2)N	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	BS7G6Q	{1-[1-(1-{2-[1-(Cyclohexylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-1-hydroxy-ethyl}-3-methyl-butylcarbamoyl)-3-methylsulfanyl-propylcarbamoyl]-2-methyl-propyl}-carbamic acid tert-butyl ester	Investigative	44296509	C35H59N5O7S	693.9	CC(C)CC([C@H](CC(=O)N[C@H](C(C)C)C(=O)NCC1=CC=CC=C1)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BSH93K	Aminopyrimidine, 15	Investigative	25138212	C19H18N4O	318.4	CC1=C(C=C(C=C1)NC2=NC=NC(=C2)C3=CC=CC=C3)NC(=O)C	IC50 > 600000 nM	Non binder
T79031	Beta-secretase 1	BSK4W9	Aminopyrimidine, 14	Investigative	25138211	C16H13BrN4	341.2	C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=C(C=C3)Br)N	IC50 > 600000 nM	Non binder
T79031	Beta-secretase 1	BSMY53	7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dihydroxy-	Investigative	5376215	C11H6O5	218.16	C1=CC(=O)OC2=C(C3=C(C=CO3)C(=C21)O)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BT3X4N	4-(2-Amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2-morpholinoethyl)butanamide	Investigative	49864507	C17H24ClN5O2	365.9	C1COCCN1CCNC(=O)CCCN2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 827000 nM	Non binder
T79031	Beta-secretase 1	BT7V2E	(4S)-4-Amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2R,3S)-1-[[(1S)-1-carboxybutyl]-methylamino]-2-hydroxy-5-methylhexan-3-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid	Investigative	122185942	C31H53N5O8S	655.8	CCC[C@@H](C(=O)O)N(C)C[C@H]([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CS1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)N)O	IC50 = 680000 nM	Non binder
T79031	Beta-secretase 1	BTS10H	2-[[(2S)-Butan-2-yl]amino]-N-[(1R,2S)-1-hydroxy-3-phenyl-1-[(2S)-pyrrolidin-2-yl]propan-2-yl]-6-methylsulfonylpyridine-4-carboxamide;hydrochloride	Investigative	137651879	C24H35ClN4O4S	511.1	CC[C@H](C)NC1=NC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H]([C@@H]3CCCN3)O)S(=O)(=O)C.Cl	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BTV06G	Cnidicin	Investigative	10043694	C21H22O5	354.4	CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC=C(C)C)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BU2YG1	(R)-2-(2-(7-Hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)-5-ureidopentanoic acid	Investigative	24280464	C19H23N3O7	405.4	CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)N[C@H](CCCNC(=O)N)C(=O)O	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BU6GO8	Decursinol	Investigative	442127	C14H14O4	246.26	CC1([C@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BU9P1E	Phenyl-substituted sulfonamides, 6e	Investigative	44236886	C31H37N5O4S2	607.8	C1=CC=C(C=C1)CN(CCCNCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N)S(=O)(=O)C4=CC=C(C=C4)N	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	BUI4J1	3-(2-(4-(2-Hydroxyethylamino)-6-morpholino-1,3,5-triazin-2-yl)hydrazinyl)-3-phenylpropanoic acid	Investigative	46906869	C18H25N7O4	403.4	C1COCCN1C2=NC(=NC(=N2)NNC(CC(=O)O)C3=CC=CC=C3)NCCO	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BUIB07	N-(Aminocarbonyl)-N-[(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]-D-ornithine	Investigative	24280444	C19H23N3O7	405.4	CC1=CC(=C2C(=C(C(=O)OC2=C1)CC(=O)N[C@H](CCCNC(=O)N)C(=O)O)C)O	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BV80MX	2,3,4,4-Tetramethyl-5-methylene-2-cyclopentene-1-one	Investigative	11499243	C10H14O	150.22	CC1=C(C(C(=C)C1=O)(C)C)C	EC50 = 217000 nM	Non binder
T79031	Beta-secretase 1	BVG18W	Seselin	Investigative	68229	C14H12O3	228.24	CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BW1F8H	3-Methyl-2-(2-(2-methyl-5-phenylfuran-3-carboxamido)acetamido)butanoic acid	Investigative	3143447	C19H22N2O5	358.4	CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NCC(=O)NC(C(C)C)C(=O)O	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BW92ML	(4S)-4-Amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-4-[[(1S)-1-carboxybutyl]amino]-1-cyclohexyl-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid	Investigative	122185939	C33H53N5O9S	695.9	CCC[C@@H](C(=O)O)NC(=O)[C@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CC=CS2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)N)O	IC50 = 480000 nM	Non binder
T79031	Beta-secretase 1	BWDH91	Carboxamide, 12b	Investigative	44236890	C35H39N3O2	533.7	C1=CC=C(C=C1)CC(=O)N(CCCNCCN(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3)CC4=CC=CC=C4	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	BWG42J	5-Bromoquinolin-2-amine	Investigative	22674193	C9H7BrN2	223.07	C1=CC2=C(C=CC(=N2)N)C(=C1)Br	IC50 = 400000 nM	Non binder
T79031	Beta-secretase 1	BWM38C	Lomatin	Investigative	600670	C14H14O4	246.26	CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BX0K7F	Columbianetin	Investigative	92201	C14H14O4	246.26	CC(C)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BX0R9B	Osthenol	Investigative	5320318	C14H14O3	230.26	CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BX1AN2	Aminopyrimidine, 18	Investigative	25138216	C19H20N4O2S	368.5	CC1=C(C=C(C=C1)NC2=NC=NC(=C2)C3=CC=CC=C3C)NS(=O)(=O)C	IC50 = 219000 nM	Non binder
T79031	Beta-secretase 1	BX1P0S	N,N'-(Iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)	Investigative	24883483	C30H35N5O4S2	593.8	C1=CC=C(C=C1)CN(CCNCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N)S(=O)(=O)C4=CC=C(C=C4)N	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	BX8CT0	N-(4-Bromo-3-nitrophenyl)-6-phenylpyrimidin-4-amine	Investigative	25138210	C16H11BrN4O2	371.19	C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=C(C=C3)Br)[N+](=O)[O-]	IC50 > 600000 nM	Non binder
T79031	Beta-secretase 1	BX9E2O	3-[2-(3-{[(Furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine	Investigative	44552610	C20H23N3O	321.4	CN(CC1=CC=CC(=C1)CCC2=C(N=CC=C2)N)CC3=CC=CO3	IC50 = 250000 nM	Non binder
T79031	Beta-secretase 1	BX9SL1	Methyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate	Investigative	56940704	C13H14N2O3	246.26	COC(=O)[C@H]1C[C@@]2(CN1)C3=CC=CC=C3NC2=O	IC50 = 242000 nM	Non binder
T79031	Beta-secretase 1	BXB14Z	4-(2-Amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3-fluorobenzyl)butanamide	Investigative	49864535	C18H18ClFN4O	360.8	C1=CC(=CC(=C1)F)CNC(=O)CCCN2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 249000 nM	Non binder
T79031	Beta-secretase 1	BXIT74	Xanthotoxol	Investigative	65090	C11H6O4	202.16	C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BXJ2U1	Phenyl-substituted sulfonamides, 6b	Investigative	44236884	C31H35N3O4S2	577.8	C1=CC=C(C=C1)CN(CCCNCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4	IC50 > 250000 nM	Non binder
T79031	Beta-secretase 1	BXM32K	Suberosin	Investigative	68486	C15H16O3	244.28	CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BY0DA8	N-{3-[(6-Phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide	Investigative	24289443	C17H16N4O2S	340.4	CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3	IC50 = 400000 nM	Non binder
T79031	Beta-secretase 1	BY1KM2	2-Amino-3-methyl-6-[(1S,2R)-2-[3-(3-phenylpropyl)phenyl]cyclopropyl]pyrimidin-4-one	Investigative	71614890	C23H25N3O	359.5	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2C3=CC=CC(=C3)CCCC4=CC=CC=C4	IC50 > 200000 nM	Non binder
T79031	Beta-secretase 1	BY68CN	Osthole	Investigative	10228	C15H16O3	244.28	CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	BYR3L1	(R)-2-(2-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-5-ureidopentanoic acid	Investigative	24280127	C18H21N3O7	391.4	CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N[C@H](CCCNC(=O)N)C(=O)O	IC50 = 500000 nM	Non binder
T79031	Beta-secretase 1	BZIQ70	(R)-3-(2-Amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-benzylpentanamide	Investigative	49864605	C19H21ClN4O	356.8	CC[C@H](CC(=O)NCC1=CC=CC=C1)N2C3=C(C=C(C=C3)Cl)N=C2N	IC50 = 516000 nM	Non binder
T79031	Beta-secretase 1	BZLQ59	2-Amino-3-methyl-6-[(1S,2R)-2-(3-phenylphenyl)cyclopropyl]pyrimidin-4-one	Investigative	71462338	C20H19N3O	317.4	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2C3=CC=CC(=C3)C4=CC=CC=C4	IC50 = 614000 nM	Non binder
T79031	Beta-secretase 1	D02JEZ	7-hydroxycoumarin	Investigative	5281426	C9H6O3	162.14	C1=CC(=CC2=C1C=CC(=O)O2)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	D03ZMQ	COUMARIN	Investigative	323	C9H6O2	146.14	C1=CC=C2C(=C1)C=CC(=O)O2	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	D0D5YP	BERGAPTOL	Investigative	5280371	C11H6O4	202.16	C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	D0U4BB	HERNIARIN	Investigative	10748	C10H8O3	176.17	COC1=CC2=C(C=C1)C=CC(=O)O2	IC50 > 500000 nM	Non binder
T79031	Beta-secretase 1	D0YZ5G	esculetin	Investigative	5281416	C9H6O4	178.14	C1=CC(=O)OC2=CC(=C(C=C21)O)O	IC50 > 500000 nM	Non binder