Target Poor or Non Binder(s) Information
Target General Information | Top | ||||
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Target ID | T38284 | Target Info | |||
Target Name | Fusion protein Bcr-Abl (Bcr-Abl) | ||||
Synonyms |
BCR-ABL fusion protein; BCR-ABL
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Target Type | Successful Target | ||||
Gene Name | BCR-ABL1 | ||||
Biochemical Class | Kinase | ||||
UniProt ID |
Poor Binders of This Target (in total, 35 binders) | Download | Top | |||
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Compound Name |
4-(4-Methylphenyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2376498; BDBM50432871
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Activity |
IC50 = 50118.72 nM
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[1] | |||
Compound Name |
[4-[6-(4-Methoxyanilino)pyrimidin-4-yl]phenyl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3618208; BDBM50119596
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Activity |
IC50 = 51920 nM
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[2] | |||
Compound Name |
N-[2-[[4-(3-Amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-(trifluoromethyl)benzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634541; BDBM50131174
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Activity |
IC50 = 56270 nM
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[3] | |||
Compound Name |
5-Bromo-2-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3891205; BDBM50190711
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Activity |
IC50 = 58000 nM
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[4] | |||
Compound Name |
[4-(3-Methoxybenzoyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3613493; BDBM50117289
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Activity |
IC50 = 60670 nM
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[5] | |||
Compound Name |
(3-Nitro-phenyl)-(4-pyridin-4-yl-pyrimidin-2-yl)-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL55683; SCHEMBL1144; BDBM50290426; VCC792768; N-(3-nitrophenyl)-4-pyridin-4-ylpyrimidin-2-amine; 4-(4-Pyridinyl)-N-(3-nitrophenyl)pyrimidin-2-amine; N-(3-nitrophenyl)-4-(4-pyridyl)-2-pyrimidine-amine
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Activity |
IC50 = 61659.5 nM
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[1] | |||
Compound Name |
[4-(3-Fluorobenzoyl)piperazin-1-yl]-[4-(4-methylpyridin-2-yl)phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3613496; BDBM50117288
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Activity |
IC50 = 63300 nM
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[5] | |||
Compound Name |
[4-(3-Amino-1H-indazol-4-yl)phenyl]-[4-(4-chlorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634535; BDBM50131184
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Activity |
IC50 = 65630 nM
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[3] | |||
Compound Name |
4-Amino-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)benzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL326753; SCHEMBL11927842; BDBM50132709; 4-Amino-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide; N-[3-[4-(3-Pyridinyl)-2-pyrimidinylamino]-4-methylphenyl]-4-aminobenzamide
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Activity |
IC50 = 67608.3 nM
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[1] | |||
Compound Name |
[4-(2-Chlorobenzoyl)piperazin-1-yl]-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3618130; BDBM50119603
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Activity |
IC50 = 73910 nM
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[2] | |||
Compound Name |
N-[2-[[4-(3-Amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3,4-difluorobenzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634538; BDBM50131177
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Activity |
IC50 = 75290 nM
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[3] | |||
Compound Name |
[4-(2-Fluorobenzoyl)piperazin-1-yl]-[4-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357266; BDBM50497713
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Activity |
IC50 = 78600 nM
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[6] | |||
Compound Name |
[4-(3-Amino-1H-indazol-4-yl)phenyl]-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634532; BDBM50131211
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Activity |
IC50 = 83520 nM
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[3] | |||
Compound Name |
[4-(3-Methoxybenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3613505; BDBM50117275
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Activity |
IC50 = 89700 nM
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[5] | |||
Compound Name |
[4-[6-(3-Chloroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357286; BDBM50497706
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Activity |
IC50 = 91800 nM
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[6] | |||
Compound Name |
[4-(3-Amino-1H-indazol-4-yl)phenyl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634531; BDBM50131212
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Activity |
IC50 = 94570 nM
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[3] | |||
Compound Name |
N-[2-[[4-(3-Amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634543; BDBM50131172
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Activity |
IC50 ~ 100000 nM
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[3] | |||
Compound Name |
[4-(3-Amino-1H-indazol-4-yl)phenyl]-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3632643; BDBM50131213
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Activity |
IC50 ~ 100000 nM
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[3] | |||
Compound Name |
[4-(3-Amino-1H-indazol-4-yl)phenyl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634536; BDBM50131179
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Activity |
IC50 ~ 100000 nM
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[3] | |||
Compound Name |
4-Pyridin-4-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL55662; SCHEMBL1269; BDBM50290420; 4-(4-Pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine; N-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-4(4-pyridyl)-2-pyrimidineamine; N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-(4-pyridyl)-2-pyrimidine-amine; (4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
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Activity |
IC50 = 100000 nM
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[1] | |||
Compound Name |
[4-(3-Amino-1H-indazol-4-yl)phenyl]-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634537; BDBM50131178
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Activity |
IC50 ~ 100000 nM
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[3] | |||
Compound Name |
[4-(3-Amino-1H-indazol-4-yl)phenyl]-[4-(4-methoxybenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634533; BDBM50131210
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Activity |
IC50 ~ 100000 nM
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[3] | |||
Compound Name |
N-[2-[[4-(3-Amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-3-fluorobenzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634542; BDBM50131173
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Activity |
IC50 ~ 100000 nM
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[3] | |||
Compound Name |
[4-[3-(Dimethylamino)benzoyl]piperazin-1-yl]-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3618210; BDBM50119594
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Activity |
IC50 ~ 100000 nM
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[2] | |||
Compound Name |
[4-(3-Amino-1H-indazol-4-yl)phenyl]-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634534; BDBM50131191
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Activity |
IC50 ~ 100000 nM
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[3] | |||
Compound Name |
[4-[6-(4-Methoxyanilino)pyrimidin-4-yl]phenyl]-[4-(4-methoxybenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3618204; BDBM50119600
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Activity |
IC50 ~ 100000 nM
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[2] | |||
Compound Name |
[4-[6-(4-Methoxyanilino)pyrimidin-4-yl]phenyl]-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3618209; BDBM50119595
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Activity |
IC50 ~ 100000 nM
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[2] | |||
Compound Name |
(E)-3,5-Di-tert-butyl-3',5'-dimethoxystilbene-4-ol
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Investigative | Compound Info | ||
Synonyms |
CHEMBL207989; BDBM50186754; 2,6-di-tert-butyl-4-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-phenol
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Activity |
IC50 ~ 100000 nM
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[7] | |||
Compound Name |
[4-(3-Amino-1H-indazol-4-yl)phenyl]-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634408; BDBM50131216
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Activity |
IC50 ~ 100000 nM
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[3] | |||
Compound Name |
2-(3,5-Dimethoxy-phenyl)-6-methoxy-naphthalene
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Investigative | Compound Info | ||
Synonyms |
CHEMBL194888; CTK6J9239; BDBM50186753; ZINC21995029; AKOS015966001
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Activity |
IC50 ~ 100000 nM
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[7] | |||
Compound Name |
N-[2-[(4-Tert-butylbenzoyl)amino]ethyl]-4-[6-(4-methoxyanilino)pyrimidin-4-yl]benzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3618122; BDBM50119590
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Activity |
IC50 ~ 100000 nM
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[2] | |||
Compound Name |
1,3-Dimethoxy-5-[4-(4-methoxyphenyl)phenyl]benzene
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Investigative | Compound Info | ||
Synonyms |
CHEMBL207826; BDBM50186752; 4,3'''',5''''-trimethoxy-[1,1'';4'',1'''']-terphenyl
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Activity |
IC50 ~ 100000 nM
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[7] | |||
Compound Name |
4-(3-Amino-1H-indazol-4-yl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3634544; BDBM50131065
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Activity |
IC50 ~ 100000 nM
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[3] | |||
Compound Name |
5-Bromo-2-chloro-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3910366; BDBM50190676
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Activity |
IC50 = 122000 nM
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[4] | |||
Compound Name |
[4-[6-(2-Chloroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357272; BDBM50497696
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Activity |
IC50 = 141000 nM
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[6] | |||
Click to Show/Hide the Information of All Poor Binders |
Non Binders of This Target (in total, 22 non binders) | Download | Top | |||
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Compound Name |
[4-[6-(2,4-Dichloroanilino)pyrimidin-4-yl]phenyl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357292; BDBM50497702
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Activity |
IC50 = 266000 nM
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[6] | |||
Compound Name |
[4-[6-(4-Fluoroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357283; BDBM50497700
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Activity |
IC50 = 277000 nM
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[6] | |||
Compound Name |
[4-[6-(4-Tert-butylanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357267; BDBM50497710
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Activity |
IC50 = 354000 nM
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[6] | |||
Compound Name |
[4-(3-Fluorobenzoyl)piperazin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3613509; BDBM50117280
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Activity |
IC50 = 444180 nM
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[5] | |||
Compound Name |
[4-(2,4-Dichlorobenzoyl)piperazin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3613513; BDBM50117292
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Activity |
IC50 > 500000 nM
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[5] | |||
Compound Name |
4-[5-Bromo-4-[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3958973; BDBM50190681
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Activity |
IC50 > 500000 nM
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[4] | |||
Compound Name |
5-Bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3985349; BDBM50190716
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Activity |
IC50 > 500000 nM
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[4] | |||
Compound Name |
[4-[6-(4-Tert-butylanilino)pyrimidin-4-yl]phenyl]-[4-(2-chlorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357290; BDBM50497709
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Activity |
IC50 > 500000 nM
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[6] | |||
Compound Name |
4-[5-Bromo-4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3904773; BDBM50190719
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Activity |
IC50 > 500000 nM
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[4] | |||
Compound Name |
[4-(5-Bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(4-chloro-2-nitrophenyl)methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3963388; BDBM50190721
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Activity |
IC50 > 500000 nM
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[4] | |||
Compound Name |
[4-[6-(3,4-Difluoroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357273; BDBM50497711
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Activity |
IC50 > 500000 nM
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[6] | |||
Compound Name |
5-Bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3967349; BDBM50190675
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Activity |
IC50 > 500000 nM
|
[4] | |||
Compound Name |
[4-[3-(Dimethylamino)benzoyl]piperazin-1-yl]-[4-(6-methylpyridin-3-yl)phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3613503; BDBM50117277
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Activity |
IC50 > 500000 nM
|
[5] | |||
Compound Name |
[4-[6-(3-Chloro-4-methylanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357284; BDBM50497692
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Activity |
IC50 > 500000 nM
|
[6] | |||
Compound Name |
[4-[6-(3,4-Dichloroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357285; BDBM50497701
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Activity |
IC50 > 500000 nM
|
[6] | |||
Compound Name |
4-[4-(5-Bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3925472; BDBM50190693
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Activity |
IC50 > 500000 nM
|
[4] | |||
Compound Name |
[4-[6-(2,4-Dichloroanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357271; BDBM50497697
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Activity |
IC50 > 500000 nM
|
[6] | |||
Compound Name |
(4-Pyridin-2-ylphenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3613487; BDBM50117272
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Activity |
IC50 > 500000 nM
|
[5] | |||
Compound Name |
[4-(3-Fluorobenzoyl)piperazin-1-yl]-[4-(6-methylpyridin-3-yl)phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3613501; BDBM50117279
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Activity |
IC50 > 500000 nM
|
[5] | |||
Compound Name |
[4-[6-(3-Bromoanilino)pyrimidin-4-yl]phenyl]-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357269; BDBM50497698
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Activity |
IC50 > 500000 nM
|
[6] | |||
Compound Name |
[4-(4-Tert-butylbenzoyl)piperazin-1-yl]-[4-(4-methylpyridin-2-yl)phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3613498; BDBM50117268
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Activity |
IC50 > 500000 nM
|
[5] | |||
Compound Name |
[4-(2-Fluorobenzoyl)piperazin-1-yl]-[4-[6-(3-propan-2-ylanilino)pyrimidin-4-yl]phenyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3357275; BDBM50497703
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Activity |
IC50 > 500000 nM
|
[6] | |||
Click to Show/Hide the Information of All Non Binders |
References | Top | ||||
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REF 1 | BCR-ABL tyrosine kinase inhibitor pharmacophore model derived from a series of phenylaminopyrimidine-based (PAP) derivatives. Bioorg Med Chem Lett. 2013 Apr 15;23(8):2442-50. | ||||
REF 2 | Expanding the structural diversity of Bcr-Abl inhibitors: Hybrid molecules based on GNF-2 and Imatinib. Bioorg Med Chem Lett. 2015 Oct 1;25(19):4164-8. | ||||
REF 3 | Expanding the structural diversity of Bcr-Abl inhibitors: Dibenzoylpiperazin incorporated with 1H-indazol-3-amine. Eur J Med Chem. 2015 Nov 2;104:139-47. | ||||
REF 4 | Part-1: Design, synthesis and biological evaluation of novel bromo-pyrimidine analogs as tyrosine kinase inhibitors. Eur J Med Chem. 2016 Aug 25;119:70-82. | ||||
REF 5 | Synthesis and biological evaluation of novel aromatic-heterocyclic biphenyls as potent anti-leukemia agents. Eur J Med Chem. 2015 Aug 28;101:780-9. | ||||
REF 6 | Discovery of novel Bcr-Abl inhibitors targeting myristoyl pocket and ATP site. Bioorg Med Chem. 2014 Dec 15;22(24):6876-84. | ||||
REF 7 | Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in leukemia cells. J Med Chem. 2006 May 18;49(10):3012-8. |
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