the strength of the interaction between a ligand (the inhibitor) and a protein (BACE1)
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2-([1,1'-biphenyl]-4-yl)-N-(4-methoxybenzyl)acetamide
bis[3-(benzenesulfonylamino)propyl]carbamic acid tert-butyl ester
Benzenemethanol, 3-[(3-bromophenyl)thio]-, 1-methanesulfonate
C64H94N3O10(1+)*Br(1-)
N,N'-(azanediylbis(heptane-7,1-diyl))bis(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide)
4-[4-(4-methoxy-benzenesulfonyl)-benzoyl]-[1,4']bipiperidinyl-1'-carboxylic acid ethyl ester
4-(2-CHLOROETHOXY)PHENOL
3-amino-6-methyl-N-(3-(trifluoromethyl)phenyl)thieno[2,3-b]pyridine-2-carboxamide
C25H23N5O2
1,3-bis-(bromomethyl)-5-[((4,6-dimethylpyridin-2-yl)amino)methyl]-2,4,6-triethylbenzene
4'-(4-(triethylamino)methylphenyl)-2,2':6',2''-terpyridine bromide
2-diethylaminoethyl 4-amino-2-methoxybenzoate
Alvespimycin
methyl 3-(3,5-bis{bis[(pyridin-2-yl)methyl]aminomethyl}-4-hydroxyphenyl)propanoate
5-chloro-N4-methyl-N2-phenylpyrimidine-2,4-diamine
[4-(2-benzyloxy-4-fluoro-phenyl)-2,6-diisopropyl-5-vinyl-pyridin-3-yl]-methanol
5,15-Bis-[3-(6-bromo-hexyloxy)-phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-porphyrinogene
C22H25N5O6
2',3'-di-O-benzoyl-5'-O-(4-methoxytrityl)-2'-C-methyluridine
3-chloro-2-fluoro-N-methylaniline
(2S,3R)-3-(4-Methoxy-benzyloxy)-3-{(2S,3S,6R,2'S,3'S,6'R)-6'-[(1R,2S)-1-(4-methoxy-benzyloxy)-2-methyl-3-oxo-propyl]-3,3'-dimethyl-octahydro-[2,2']bipyranyl-6-yl}-2-methyl-propionaldehyde
Boronic acid, (2-hydroxy-5-nitrophenyl)-
3,3'-(1,3-butadiyne-1,4-diyl)bis<2-(phenylmethoxy)pyridine>
5,6-oxido-3β,20β-dihydroxypregnane dibenzoate
4-(3-bromo-2-{2-[(2R)-2-methylpyrrolidin-1-yl]ethyl}-1-benzofuran-5-yl)benzonitrile
6-chloro-5-methyl-2-(piperazin-1-yl)-N-(propan-2-yl)pyrimidin-4-amine
2-(4-Chloromethyl-phenyl)-N-{6-[2-(4-chloromethyl-phenyl)-acetylamino]-pyridin-2-yl}-acetamide
Benzene, 1-(1-diazoethyl)-2-nitro-
2-methylsulfanyl-3-(4-chlorophenyl)-3H-quinazolin-4-one
3'-[(N-benzyloxycarbonyl-amino-ε-hexanoyl)-amino]-3'-deoxy-thymidine
1-Bromo-2-methoxy-3-(methoxymethyl)-5-methylbenzene
N-(4-bromobenzyl)-N'-(tert-butoxycarbonyl)thiourea
1-(4-BROMO-PHENYL)-4-METHYL-PIPERAZINE
(+)-3-(4-bromophenyl)-2-hydroxy-1-<1-(4-phenylpiperidinyl)>propane
N-methyl-3-phenyl-3-(6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-yloxy)propan-1-amine
C17H13N3O3S
2-(1,3-thiazol-2-yl)acetonitrile
1,3-dichloro-2-{2-[4-(iodomethyl)phenoxy]ethoxy}-5-methylbenzene
1,3-Benzenedicarboxylic acid, 5-[[[2-[3-(1,1-dimethylethoxy)-3-oxopropoxy]-1,1-bis[[3-(1,1-dimethyleth oxy)-3-oxopropoxy]methyl]ethyl]amino]carbonyl]-, bis(pentafluorophenyl) ester
Benzeneacetic acid, a-cyclohexyl-a-methyl-, 3-(dimethylamino)propyl ester
4-((9H-carbazol-9-yl)methyl)-N-hydroxybenzamide
trimethyl-2,2',2'',3,3',3''-hexamethoxy-4,4',4''-<1,3,5-benzenetriyltris-(4,1-phenylenmethyleniminocarbonyl)>tris benzoate
5-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-BENZO[1,3]DIOXOLE
2-amino-7-benzyl-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
tert-butyl 4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzylcarbamate
C19H24N4S
2,2'-dimethoxy-5,5'-dibromodiphenyl ether
