| Compound ID |
Compound Name |
Compound Formula |
|
CP0035720
|
(-)-reserpine
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|
C33H40N2O9
|
6
|
| 1 |
IC50 = 500 nM
|
|
|
| 2 |
IC50 = 2100 nM
|
|
|
| 3 |
IC50 = 2600 nM
|
|
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| 4 |
IC50 = 3900 nM
|
|
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| 5 |
IC50 = 5300 nM
|
|
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| 6 |
IC50 = 6100 nM
|
|
|
|
CP0161850
|
CLOFAZIMINE
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|
C27H22Cl2N4
|
3
|
| 1 |
IC50 = 600 nM
|
|
|
| 2 |
IC50 = 1000 nM
|
|
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| 3 |
IC50 = 1100 nM
|
|
|
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CP0206932
|
2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-phenyl)-ethylamino]-2-isopropyl-pentanenitrile
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|
C26H36N2O4
|
1
|
| 1 |
IC50 = 900 nM
|
|
|
|
CP0034615
|
(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol
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|
C20H24N2O2
|
3
|
| 1 |
IC50 = 1000 nM
|
|
|
| 2 |
IC50 = 18800 nM
|
|
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| 3 |
IC50 = 33900 nM
|
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|
|
CP0036222
|
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
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|
C62H111N11O12
|
6
|
| 1 |
IC50 = 1400 nM
|
|
|
| 2 |
IC50 = 1700 nM
|
|
|
| 3 |
IC50 = 1800 nM
|
|
|
| 4 |
IC50 = 2100 nM
|
|
|
| 5 |
IC50 = 2400 nM
|
|
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| 6 |
IC50 = 4300 nM
|
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|
|
CP0033565
|
(+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol
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|
C32H41NO2
|
3
|
| 1 |
IC50 = 1800 nM
|
|
|
| 2 |
IC50 = 2500 nM
|
|
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| 3 |
IC50 = 2700 nM
|
|
|
|
CP0041632
|
ITRAZOLE
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|
C35H38Cl2N8O4
|
1
|
| 1 |
IC50 = 2400 nM
|
|
|
|
CP0084994
|
(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride
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|
C29H40N2O4
|
4
|
| 1 |
IC50 = 2400 nM
|
|
|
| 2 |
IC50 = 9200 nM
|
|
|
| 3 |
IC50 = 9600 nM
|
|
|
| 4 |
IC50 = 35100 nM
|
|
|
|
CP0179655
|
CHEBI:28545
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|
C54H90N6O18
|
1
|
| 1 |
IC50 = 3200 nM
|
|
|
|
CP0424490
|
CAS_119442
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|
C28H40N2O5
|
1
|
| 1 |
IC50 = 3200 nM
|
|
|
|
CP0055461
|
CHEBI:7550
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|
C26H29N3O6
|
7
|
| 1 |
IC50 = 3200 nM
|
|
|
| 2 |
IC50 = 5600 nM
|
|
|
| 3 |
IC50 = 6600 nM
|
|
|
| 4 |
IC50 = 7100 nM
|
|
|
| 5 |
IC50 = 11700 nM
|
|
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| 6 |
IC50 = 14600 nM
|
|
|
| 7 |
IC50 > 25800 nM
|
|
|
|
CP0416716
|
5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
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|
C27H38N2O5
|
3
|
| 1 |
IC50 = 3600 nM
|
|
|
| 2 |
IC50 = 4900 nM
|
|
|
| 3 |
IC50 = 8600 nM
|
|
|
|
CP0133264
|
A-56268
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|
C38H69NO13
|
7
|
| 1 |
IC50 = 3800 nM
|
|
|
| 2 |
IC50 = 7200 nM
|
|
|
| 3 |
IC50 = 15100 nM
|
|
|
| 4 |
IC50 = 23800 nM
|
|
|
| 5 |
IC50 = 50200 nM
|
|
|
| 6 |
IC50 = 56100 nM
|
|
|
| 7 |
IC50 = 86700 nM
|
|
|
|
CP0036382
|
CAS_52-53-9
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|
C27H38N2O4
|
6
|
| 1 |
IC50 = 4200 nM
|
|
|
| 2 |
IC50 = 4700 nM
|
|
|
| 3 |
IC50 = 6500 nM
|
|
|
| 4 |
IC50 = 28900 nM
|
|
|
| 5 |
IC50 = 38200 nM
|
|
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| 6 |
IC50 = 42000 nM
|
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|
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CP0041757
|
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
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|
C24H26N2O4
|
3
|
| 1 |
IC50 = 4600 nM
|
|
|
| 2 |
IC50 = 6000 nM
|
|
|
| 3 |
IC50 = 6600 nM
|
|
|
|
CP0005212
|
US8987315, Ketoconazole
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|
C26H28Cl2N4O4
|
3
|
| 1 |
IC50 = 5600 nM
|
|
|
| 2 |
IC50 = 23400 nM
|
|
|
| 3 |
IC50 = 53400 nM
|
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|
|
CP0047409
|
2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol;hydrochloride
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|
C22H26F3N3OS
|
3
|
| 1 |
IC50 = 5700 nM
|
|
|
| 2 |
IC50 = 6500 nM
|
|
|
| 3 |
IC50 = 10400 nM
|
|
|
|
CP0031625
|
10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
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|
C21H24F3N3S
|
3
|
| 1 |
IC50 = 6300 nM
|
|
|
| 2 |
IC50 = 7200 nM
|
|
|
| 3 |
IC50 = 10900 nM
|
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|
|
CP0003923
|
(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
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|
C26H29NO
|
3
|
| 1 |
IC50 = 6400 nM
|
|
|
| 2 |
IC50 = 12100 nM
|
|
|
| 3 |
IC50 = 31400 nM
|
|
|
|
CP0201969
|
2-(3,4-Dimethoxy-phenyl)-5,6,7,8-tetramethoxy-chromen-4-one
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|
C21H22O8
|
1
|
| 1 |
IC50 = 11500 nM
|
|
|
|
CP0075209
|
(2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE
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|
C46H58N4O9
|
3
|
| 1 |
IC50 = 17700 nM
|
|
|
| 2 |
IC50 = 19900 nM
|
|
|
| 3 |
IC50 = 29500 nM
|
|
|
|
CP0078400
|
QUININE
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|
C20H24N2O2
|
3
|
| 1 |
IC50 = 22600 nM
|
|
|
| 2 |
IC50 = 74400 nM
|
|
|
| 3 |
IC50 = 87600 nM
|
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|
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CP0069487
|
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
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|
C24H40N8O4
|
3
|
| 1 |
IC50 = 22700 nM
|
|
|
| 2 |
IC50 = 23700 nM
|
|
|
| 3 |
IC50 = 34300 nM
|
|
|
|
CP0035175
|
2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate
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|
C24H32O4S
|
1
|
| 1 |
IC50 = 23600 nM
|
|
|
|
CP0050782
|
(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
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|
C25H38O5
|
2
|
| 1 |
IC50 = 26100 nM
|
|
|
| 2 |
IC50 = 56800 nM
|
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|
|
CP0082870
|
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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|
C18H19Cl2NO4
|
3
|
| 1 |
IC50 = 26300 nM
|
|
|
| 2 |
IC50 = 32300 nM
|
|
|
| 3 |
IC50 > 60000 nM
|
|
|
|
CP0005348
|
LOVASTATIN
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|
C24H36O5
|
1
|
| 1 |
IC50 = 32700 nM
|
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|
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CP0064592
|
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
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|
C47H51NO14
|
3
|
| 1 |
IC50 = 53900 nM
|
|
|
| 2 |
IC50 = 54000 nM
|
|
|
| 3 |
IC50 = 70200 nM
|
|
|
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CP0057947
|
TROLEANDOMYCIN
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|
C41H67NO15
|
3
|
| 1 |
IC50 = 68300 nM
|
|
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| 2 |
IC50 = 78200 nM
|
|
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| 3 |
IC50 = 86300 nM
|
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CP0166548
|
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate
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|
C22H34O7
|
1
|
| 1 |
IC50 = 80200 nM
|
|
|
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CP0038813
|
(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
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|
C21H30O2
|
2
|
| 1 |
IC50 = 88100 nM
|
|
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| 2 |
IC50 = 96200 nM
|
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|
