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Compile Data Set for Download or QSAR

Found 453 hits Enz. Inhib. hit(s) with Target = 'Alpha trans-inducing protein (VP16)' AND taxid = 10299   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM77737
PNG
(2,5-dimethyl-1-phenyl-N-(p-tolyl)pyrrole-3-carboxa...)
Show SMILES Cc1cc(C(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H20N2O/c1-14-9-11-17(12-10-14)21-20(23)19-13-15(2)22(16(19)3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,23)
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The Scripps Research Institute Molecular Screening Center

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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM59548
PNG
(3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-7-p...)
Show SMILES Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClFN4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM57102
PNG
(MLS000541562 | N-cyclohexyl-6-phenyl-3-(2-pyridiny...)
Show SMILES C1CCC(CC1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C20H21N5/c1-3-9-15(10-4-1)18-20(22-16-11-5-2-6-12-16)23-19(25-24-18)17-13-7-8-14-21-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23,25)
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The Scripps Research Institute Molecular Screening Center

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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM38933
PNG
(2-[[5-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1,3,4-oxa...)
Show SMILES COc1cccc(NC(=O)CSc2nnc(o2)-c2cc(C)n(c2C)-c2ccccc2)c1
Show InChI InChI=1S/C23H22N4O3S/c1-15-12-20(16(2)27(15)18-9-5-4-6-10-18)22-25-26-23(30-22)31-14-21(28)24-17-8-7-11-19(13-17)29-3/h4-13H,14H2,1-3H3,(H,24,28)
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87350
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...)
Show SMILES Nc1nc2n(cnc2c(=S)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM69148
PNG
(2-[(4-fluorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10FN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM63738
PNG
((2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino)-(...)
Show SMILES C(N=Nc1ccc2ccccc2n1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H15N3O2/c1-2-4-15-14(3-1)6-8-18(20-15)21-19-12-13-5-7-16-17(11-13)23-10-9-22-16/h1-8,11H,9-10,12H2
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87322
PNG
(1H-benzimidazol-2-yl-[(E)-8-quinolylmethyleneamino...)
Show SMILES C(N=Nc1nc2ccccc2[nH]1)c1cccc2cccnc12
Show InChI InChI=1S/C17H13N5/c1-2-9-15-14(8-1)20-17(21-15)22-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-10H,11H2,(H,20,21)/b22-19+
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87318
PNG
(2-(4-Dimethylaminostyryl)quinoline | MLS000737964 ...)
Show SMILES CN(C)c1ccc(\C=C\c2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C19H18N2/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17/h3-14H,1-2H3/b11-7+
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM68079
PNG
(3,5,6-trichloro-1-(4-methylphenyl)-2(1H)-pyrazinon...)
Show SMILES Cc1ccc(cc1)-n1c(Cl)c(Cl)nc(Cl)c1=O
Show InChI InChI=1S/C11H7Cl3N2O/c1-6-2-4-7(5-3-6)16-10(14)8(12)15-9(13)11(16)17/h2-5H,1H3
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM34264
PNG
(2-(6-bromo-4,5-dihydroxy-3-p-toluoyl-benzofuran-7-...)
Show SMILES CCOC(=O)C(C(C)=O)c1c(Br)c(O)c(O)c2c(coc12)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H19BrO7/c1-4-29-22(28)14(11(3)24)16-17(23)20(27)19(26)15-13(9-30-21(15)16)18(25)12-7-5-10(2)6-8-12/h5-9,14,26-27H,4H2,1-3H3
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM58327
PNG
(MLS001204085 | N-[(4-Chloro-phenyl)-(8-hydroxy-qui...)
Show SMILES CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H19ClN2O2/c1-2-4-17(24)23-18(14-6-9-15(21)10-7-14)16-11-8-13-5-3-12-22-19(13)20(16)25/h3,5-12,18,25H,2,4H2,1H3,(H,23,24)
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM77578
PNG
(MLS001211345 | N-[(2,4-Dichloro-phenyl)-(8-hydroxy...)
Show SMILES CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM54424
PNG
((2E,6E)-4-tert-butyl-2,6-bis(3,4,5-trimethoxybenzy...)
Show SMILES COc1cc(\C=C2/CC(C\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)C(C)(C)C)cc(OC)c1OC
Show InChI InChI=1S/C30H38O7/c1-30(2,3)22-16-20(10-18-12-23(32-4)28(36-8)24(13-18)33-5)27(31)21(17-22)11-19-14-25(34-6)29(37-9)26(15-19)35-7/h10-15,22H,16-17H2,1-9H3/b20-10+,21-11+
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM65618
PNG
((6E)-2-methoxy-6-[[(5-nitro-2-pyridinyl)hydrazo]me...)
Show SMILES COc1ccc[c-](C[NH+]=Nc2ccc(cn2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C13H11N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-6,8H,7H2,1H3/q-1/p+1
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87345
PNG
(MLS001034533 | N-cyclopentyl-4-[(5Z)-4-keto-5-(4-m...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1
Show InChI InChI=1S/C20H24N2O2S2/c1-14-8-10-15(11-9-14)13-17-19(24)22(20(25)26-17)12-4-7-18(23)21-16-5-2-3-6-16/h8-11,13,16H,2-7,12H2,1H3,(H,21,23)/b17-13-
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM63792
PNG
(2-(2,4-Dichloro-phenylamino)-4-oxo-4-phenyl-butyri...)
Show SMILES OC(=O)C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2NO3/c17-11-6-7-13(12(18)8-11)19-14(16(21)22)9-15(20)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,21,22)
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM64729
PNG
(MLS001212967 | N-[(2,4-dichlorophenyl)-(8-hydroxy-...)
Show SMILES CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)
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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM76171
PNG
((2E,6E)-2,6-bis(3-chloro-5-ethoxy-4-hydroxy-benzyl...)
Show SMILES CCOc1cc(\C=C2/CCC\C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O
Show InChI InChI=1S/C24H24Cl2O5/c1-3-30-20-12-14(10-18(25)23(20)28)8-16-6-5-7-17(22(16)27)9-15-11-19(26)24(29)21(13-15)31-4-2/h8-13,28-29H,3-7H2,1-2H3/b16-8+,17-9+
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More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87252
PNG
(7-Cyclopropyl-8H-imidazo[4',5':3,4]benzo[1...)
Show SMILES C1CC1c1nc2ccc3[nH]snc3c2n1
Show InChI InChI=1S/C10H8N4S/c1-2-5(1)10-11-6-3-4-7-9(8(6)12-10)14-15-13-7/h3-5,13H,1-2H2
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n/an/a 4.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM47479
PNG
(6-amino-5-[1-(2-fluoro-6-methoxy-phenyl)-2-nitro-e...)
Show SMILES COc1cccc(F)c1C(C[N+]([O-])=O)c1c(N)n(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C15H17FN4O5/c1-18-13(17)12(14(21)19(2)15(18)22)8(7-20(23)24)11-9(16)5-4-6-10(11)25-3/h4-6,8H,7,17H2,1-3H3
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n/an/a 5.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM43224
PNG
(1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5...)
Show SMILES CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
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n/an/a 5.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM70759
PNG
(2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...)
Show SMILES COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H26Cl2N2O3/c1-30-20-13-7-16(8-14-20)22(23(29)26-18-5-3-2-4-6-18)27(21(28)15-24)19-11-9-17(25)10-12-19/h7-14,18,22H,2-6,15H2,1H3,(H,26,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87357
PNG
(4-[4-[4-(hydroxymethyl)phenyl]phenyl]-5,6,7-trimet...)
Show SMILES COc1cc2oc(=O)cc(-c3ccc(cc3)-c3ccc(CO)cc3)c2c(OC)c1OC
Show InChI InChI=1S/C25H22O6/c1-28-21-13-20-23(25(30-3)24(21)29-2)19(12-22(27)31-20)18-10-8-17(9-11-18)16-6-4-15(14-26)5-7-16/h4-13,26H,14H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM63551
PNG
(2-(1-butyl-4-pyridinylidene)indene-1,3-dione | 2-(...)
Show SMILES CCCCN1C=CC(C=C1)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H17NO2/c1-2-3-10-19-11-8-13(9-12-19)16-17(20)14-6-4-5-7-15(14)18(16)21/h4-9,11-12H,2-3,10H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM39195
PNG
((9Z)-9-hydroximinofluorene-4-carboxylic acid methy...)
Show SMILES COC(=O)c1cccc2C(N=O)c3ccccc3-c12
Show InChI InChI=1S/C15H11NO3/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18/h2-8,14H,1H3
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n/an/a 5.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87346
PNG
(MLS001129740 | N-(2-phenylethyl)-2,3-dihydro-1,4-b...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H17NO3/c19-17(18-9-8-13-4-2-1-3-5-13)14-6-7-15-16(12-14)21-11-10-20-15/h1-7,12H,8-11H2,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM70761
PNG
(2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23Cl2N3O2/c22-13-19(27)26(18-10-4-7-16(23)12-18)20(15-6-5-11-24-14-15)21(28)25-17-8-2-1-3-9-17/h4-7,10-12,14,17,20H,1-3,8-9,13H2,(H,25,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87314
PNG
(MLS000776402 | N'-[(Z)-(3-keto-2-methyl-5-methylol...)
Show SMILES Cc1ncc(C=O)c(CNNC(=O)c2cc3CCCCc3s2)c1O
Show InChI InChI=1S/C17H19N3O3S/c1-10-16(22)13(12(9-21)7-18-10)8-19-20-17(23)15-6-11-4-2-3-5-14(11)24-15/h6-7,9,19,22H,2-5,8H2,1H3,(H,20,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87336
PNG
((6E)-3-methoxy-6-[4-(4-methoxyphenyl)-1,2-dihydrop...)
Show SMILES COc1ccc(cc1)-c1c[nH]nc1-c1ccc(OC)cc1O
Show InChI InChI=1S/C17H16N2O3/c1-21-12-5-3-11(4-6-12)15-10-18-19-17(15)14-8-7-13(22-2)9-16(14)20/h3-10,20H,1-2H3,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM39025
PNG
(2-[5-(2-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine | ...)
Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H
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n/an/a 6.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87295
PNG
((4-methoxyphenyl)-(3-nitro-4-pyridyl)amine | MLS00...)
Show SMILES COc1ccc(Nc2ccncc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H11N3O3/c1-18-10-4-2-9(3-5-10)14-11-6-7-13-8-12(11)15(16)17/h2-8H,1H3,(H,13,14)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87278
PNG
(5-Bromo-nicotinic acid [1-(5-nitro-thiophen-2-yl)-...)
Show SMILES [O-][N+](=O)c1ccc(\C=N/NC(=O)c2cncc(Br)c2)s1
Show InChI InChI=1S/C11H7BrN4O3S/c12-8-3-7(4-13-5-8)11(17)15-14-6-9-1-2-10(20-9)16(18)19/h1-6H,(H,15,17)/b14-6-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM65144
PNG
((6E)-2-methoxy-6-[[2-[6-(3-methyl-5-phenyl-pyrazol...)
Show SMILES COc1cccc(CN=Nc2cc(ncn2)-n2nc(C)cc2-c2ccccc2)c1O
Show InChI InChI=1S/C22H20N6O2/c1-15-11-18(16-7-4-3-5-8-16)28(27-15)21-12-20(23-14-24-21)26-25-13-17-9-6-10-19(30-2)22(17)29/h3-12,14,29H,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87274
PNG
(2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyc...)
Show SMILES COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(OC)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H29ClN2O4/c1-30-20-12-8-17(9-13-20)23(24(29)26-18-6-4-3-5-7-18)27(22(28)16-25)19-10-14-21(31-2)15-11-19/h8-15,18,23H,3-7,16H2,1-2H3,(H,26,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87284
PNG
(3,4,5-trimethoxy-N-[(E)-[phenyl(2-pyridinyl)methyl...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C(/c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H21N3O4/c1-27-18-13-16(14-19(28-2)21(18)29-3)22(26)25-24-20(15-9-5-4-6-10-15)17-11-7-8-12-23-17/h4-14H,1-3H3,(H,25,26)/b24-20+
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87275
PNG
(2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino...)
Show SMILES COC(CN(C(C(=O)NC1CCCCC1)c1ccccc1C)C(=O)CCl)OC
Show InChI InChI=1S/C21H31ClN2O4/c1-15-9-7-8-12-17(15)20(21(26)23-16-10-5-4-6-11-16)24(18(25)13-22)14-19(27-2)28-3/h7-9,12,16,19-20H,4-6,10-11,13-14H2,1-3H3,(H,23,26)
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The Scripps Research Institute Molecular Screening Center

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Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87329
PNG
(4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S3/c14-23(19,20)8-5-6-12(10(7-8)16(17)18)22-13-15-9-3-1-2-4-11(9)21-13/h1-7H,(H2,14,19,20)
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The Scripps Research Institute Molecular Screening Center

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Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87259
PNG
(1-(6-Allyloxy-7-methyl-6H-2-oxa-1,3,6-triaza-as-in...)
Show SMILES CC(=O)c1c(C)n(OCC=C)c2ccc3nonc3c12
Show InChI InChI=1S/C14H13N3O3/c1-4-7-19-17-8(2)12(9(3)18)13-11(17)6-5-10-14(13)16-20-15-10/h4-6H,1,7H2,2-3H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87286
PNG
(4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyr...)
Show SMILES Fc1ccccc1-c1cs\c(=N/c2cccnc2)n1CCCn1ccnc1
Show InChI InChI=1S/C20H18FN5S/c21-18-7-2-1-6-17(18)19-14-27-20(24-16-5-3-8-22-13-16)26(19)11-4-10-25-12-9-23-15-25/h1-3,5-9,12-15H,4,10-11H2/b24-20-
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


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Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87308
PNG
(4-[4-(1-benzimidazolyl)phenyl]-2-pyrimidinamine | ...)
Show SMILES Nc1nccc(n1)-c1ccc(cc1)-n1cnc2ccccc12
Show InChI InChI=1S/C17H13N5/c18-17-19-10-9-14(21-17)12-5-7-13(8-6-12)22-11-20-15-3-1-2-4-16(15)22/h1-11H,(H2,18,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM41953
PNG
(4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N'-(4-methy...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1
Show InChI InChI=1S/C22H26N4O3S2/c1-14-11-15(2)13-26(12-14)31(28,29)18-9-7-17(8-10-18)21(27)24-25-22-23-20-16(3)5-4-6-19(20)30-22/h4-10,14-15H,11-13H2,1-3H3,(H,23,25)(H,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87294
PNG
(MLS000729024 | N-(4-{[2-(3,4-diethoxyphenyl)acetyl...)
Show SMILES CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OCC
Show InChI InChI=1S/C23H24N2O5/c1-3-28-19-12-7-16(14-21(19)29-4-2)15-22(26)24-17-8-10-18(11-9-17)25-23(27)20-6-5-13-30-20/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM63590
PNG
(MLS000419595 | N-(6,7-dihydro-[1,4]dioxino[2,3-f][...)
Show SMILES O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1
Show InChI InChI=1S/C14H12N2O5S/c17-13(11-7-18-1-2-21-11)16-14-15-8-5-9-10(6-12(8)22-14)20-4-3-19-9/h5-7H,1-4H2,(H,15,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM62115
PNG
(MLS000709567 | N-(1,3-benzothiazol-2-yl)-2-methoxy...)
Show SMILES COc1ccccc1C(=O)N(CCC1CCCN1C)c1nc2ccccc2s1
Show InChI InChI=1S/C22H25N3O2S/c1-24-14-7-8-16(24)13-15-25(21(26)17-9-3-5-11-19(17)27-2)22-23-18-10-4-6-12-20(18)28-22/h3-6,9-12,16H,7-8,13-15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM77529
PNG
(MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...)
Show SMILES CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H19ClN2O4/c1-2-4-18(25)24-19(12-6-7-16-17(9-12)28-11-27-16)14-10-15(22)13-5-3-8-23-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM67919
PNG
(1-[4-(2,4-Dichloro-benzyloxy)-phenyl]-3-phenyl-thi...)
Show SMILES Clc1ccc(COc2ccc(NC(=S)Nc3ccccc3)cc2)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N2OS/c21-15-7-6-14(19(22)12-15)13-25-18-10-8-17(9-11-18)24-20(26)23-16-4-2-1-3-5-16/h1-12H,13H2,(H2,23,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87256
PNG
(MLS000040549 | N-cyclohexyl-N-[(2-keto-1H-quinolin...)
Show SMILES O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccncc1
Show InChI InChI=1S/C22H23N3O2/c26-21-18(14-17-6-4-5-9-20(17)24-21)15-25(19-7-2-1-3-8-19)22(27)16-10-12-23-13-11-16/h4-6,9-14,19H,1-3,7-8,15H2,(H,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87300
PNG
((1-ethylimidazol-2-yl)methyl-[[5-(3-fluoro-4-metho...)
Show SMILES CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C18H22FN5O/c1-4-24-8-7-20-17(24)12-23(2)11-14-10-21-22-18(14)13-5-6-16(25-3)15(19)9-13/h5-10H,4,11-12H2,1-3H3,(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
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