[NORC OpenData]-Cheminformatics of Nipah Virus Inhibition Bioassays
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InhibitorName
Selection Criteria
PubChemID
Drug BAnk ID
SMILESMolWtKnown Target
in vivo testing performed?
Reference
PMID/DOI
AnnotatorEmail
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alectinib49806720CCC1=C(C=C2C(=C1)C(=O)C3=C(C2(C)C)NC4=C3C=CC(=C4)C#N)N5CCC(CC5)N6CCOCC6
482.628 g/mol
ALK ,ABCG2,ABCB1
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Cobimetinib16222096C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O 531.318 g/mol
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DaratumumabDB09331
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ElotuzumabDB06317
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Panobinostat6918837CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO
349.434 g/mol
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Palbociclib5330286CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C
447.543 g/mol
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LaherparepvecNA
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Lenvatinib9823820COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl
426.857 g/mol
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Trifluridine6256DB00432C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O
296.202 g/mol
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Ixazomib25183872
361.026 g/mol
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Sonidegib45138699
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Irinotecan liposome injection
60838CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7586.689 g/mol
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NivolumabDB09035
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Necipumumab
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Osimertinib71496458CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC499.613 g/mol
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Dinutuximab
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Rolapitant
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Trabectedin108150
CC1=C(C(=C2C3C4C5C6=C(C(N4C(C(N3C)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC
761.843 g/mol
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Netupitant and palonosetron
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Belinostat6918638C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO380.347 g /mol
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Blinatumomab
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Ramucirumab
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Ibrutinib24821094C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N440.507 g/mol
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Pembrolizumab
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Olaparib23725625C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F
434.471 g/mol
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Nivolumab
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Idelalisib11625818CCC(C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
415.432 g/mol
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Ceritinib57379345CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl558.138g/mol
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Everolimus6442177
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC
958.24g/mol
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bosutinib5328940CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC530.45g/mol
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Cabozantinib25102847COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F
501.514 g/mol
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Vismodegib24776445CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl
421.292 g/mol
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Ponatinib24826799CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
532.571 g/mol
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Axitinib6450551CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4
386.473 g/mol
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