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Literature summary for 3.4.23.46 extracted from
- New substituted aminopyrimidine derivatives as BACE1 inhibitors in silico design, synthesis and biological assays (2019), J. Biomol. Struct. Dyn., 37, 229-246 .
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one | - |
Homo sapiens |  |
| (6R)-2-amino-6-[2-(3'-methoxybiphenyl-4-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | - |
Homo sapiens | |
| (6R)-2-amino-6-[2-(biphenyl-4-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | - |
Homo sapiens | |
| (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | - |
Homo sapiens | |
| 2-amino-3-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4(3H)-one | - |
Homo sapiens | |
| 2-amino-6-(3a,7a-dihydro-1H-indol-6-ylmethyl)-3-methylpyrimidin-4(3H)-one | - |
Homo sapiens | |
| 2-amino-6-(3a,7a-dihydro-1H-indol-6-ylmethyl)pyrimidin-4(3H)-one | - |
Homo sapiens | |
| 2-amino-6-benzyl-3-methylpyrimidin-4(3H)-one | - |
Homo sapiens | |
| 2-amino-8-(2-nitrophenyl)-9-phenyl-1,9-dihydro-6H-purin-6-one | - |
Homo sapiens | |
| 2-amino-8-(4-bromophenyl)-9-phenyl-1,9-dihydro-6H-purin-6-one | - |
Homo sapiens | |
| 5-[(E)-benzylideneamino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine | - |
Homo sapiens | |
| 5-[(E)-[(2,4,-diclorophenyl)methylidene]amino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine | - |
Homo sapiens | |
| 5-[(E)-[(2-chlorophenyl)methylidene]amino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine | - |
Homo sapiens | |
| 6-methoxy-5-[(E)-(4-methylbenzylidene)amino]-N4-phenylpyrimidine-2,4-diamine | - |
Homo sapiens | |
| 6-methoxy-5-[(E)-[(2-nitrophenyl)methylidene]amino]-N4-phenylpyrimidine-2,4-diamine | - |
Homo sapiens | |
| 6-methoxy-N4-phenyl-5-[(E)-[4-(trifluoromethyl)benzylidene]amino]pyrimidine-2,4-diamine | - |
Homo sapiens | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| amyloid-beta precursor protein + H2O | Homo sapiens | - |
? | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P56817 | - |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| amyloid-beta precursor protein + H2O | - |
Homo sapiens | ? | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| BACE1 | - |
Homo sapiens |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.00008 | - |
pH and temperature not specified in the publication | Homo sapiens | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-4-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | |
| 0.00038 | - |
pH and temperature not specified in the publication | Homo sapiens | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | |
| 0.0016 | - |
pH and temperature not specified in the publication | Homo sapiens | (6R)-2-amino-6-[2-(biphenyl-4-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | |
| 0.012 | - |
pH and temperature not specified in the publication | Homo sapiens | 5-[(E)-[(2,4,-diclorophenyl)methylidene]amino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine | |
| 0.02 | - |
pH and temperature not specified in the publication | Homo sapiens | 5-[(E)-benzylideneamino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine | |
| 0.034 | - |
pH and temperature not specified in the publication | Homo sapiens | (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one | |
| 0.036 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-amino-3-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4(3H)-one | |
| 0.038 | - |
pH and temperature not specified in the publication | Homo sapiens | 6-methoxy-N4-phenyl-5-[(E)-[4-(trifluoromethyl)benzylidene]amino]pyrimidine-2,4-diamine | |
| 0.044 | - |
pH and temperature not specified in the publication | Homo sapiens | 6-methoxy-5-[(E)-(4-methylbenzylidene)amino]-N4-phenylpyrimidine-2,4-diamine | |
| 0.05 | - |
pH and temperature not specified in the publication | Homo sapiens | 6-methoxy-5-[(E)-[(2-nitrophenyl)methylidene]amino]-N4-phenylpyrimidine-2,4-diamine | |
| 0.075 | - |
pH and temperature not specified in the publication | Homo sapiens | 5-[(E)-[(2-chlorophenyl)methylidene]amino]-6-methoxy-N4-phenylpyrimidine-2,4-diamine | |
| 0.077 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-amino-6-(3a,7a-dihydro-1H-indol-6-ylmethyl)-3-methylpyrimidin-4(3H)-one | |
| 0.13 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-amino-6-(3a,7a-dihydro-1H-indol-6-ylmethyl)pyrimidin-4(3H)-one | |
| 0.21 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-amino-8-(4-bromophenyl)-9-phenyl-1,9-dihydro-6H-purin-6-one | |
| 0.22 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-amino-6-benzyl-3-methylpyrimidin-4(3H)-one | |
| 0.23 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-amino-8-(2-nitrophenyl)-9-phenyl-1,9-dihydro-6H-purin-6-one | |
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