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PubChem AID 720547

Compile Data Set for Download or QSAR

Found 232 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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...)
BDBM93927
PNG
(MLS002702060 | SMR001565631 | cid_299645)
Show SMILES COC(=O)C12OCC34C1C(OC(=O)C=C(C)C)C(=O)OC3CC1C(C)=C(O)C(=O)CC1(C)C4C(O)C2O
Show InChI InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3
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n/an/a 9.49E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100263
PNG
(2-furanyl-[4-[2-(2-methoxyphenyl)-5-phenyl-7-pyraz...)
Show SMILES COc1ccccc1-c1cc2nc(cc(N3CCN(CC3)C(=O)c3ccco3)n2n1)-c1ccccc1
Show InChI InChI=1S/C28H25N5O3/c1-35-24-11-6-5-10-21(24)23-18-26-29-22(20-8-3-2-4-9-20)19-27(33(26)30-23)31-13-15-32(16-14-31)28(34)25-12-7-17-36-25/h2-12,17-19H,13-16H2,1H3
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n/an/a 1.03E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100235
PNG
(1-[[2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylide...)
Show SMILES NC(=S)NN=C1c2cc(OCCN3CCOCC3)ccc2-c2ccc(OCCN3CCOCC3)cc12
Show InChI InChI=1S/C26H33N5O4S/c27-26(36)29-28-25-23-17-19(34-15-9-30-5-11-32-12-6-30)1-3-21(23)22-4-2-20(18-24(22)25)35-16-10-31-7-13-33-14-8-31/h1-4,17-18H,5-16H2,(H3,27,29,36)
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n/an/a 1.20E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100264
PNG
(6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-e...)
Show SMILES CC1(C)CC(=O)C=C(C1=O)c1ccc(cc1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C23H19NO2/c1-23(2)13-19(25)12-20(22(23)26)16-9-7-15(8-10-16)18-11-17-5-3-4-6-21(17)24-14-18/h3-12,14H,13H2,1-2H3
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n/an/a 1.25E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM79592
PNG
(4-(2,4,6-triphenyl-1-pyridin-1-iumyl)phenol;perchl...)
Show SMILES Oc1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H21NO/c31-27-18-16-26(17-19-27)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24/h1-21H/p+1
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100271
PNG
(3-[1-[1-benzofuran-2-yl-[1-(4-methoxyphenyl)-1,2,3...)
Show SMILES COc1ccc(cc1)-n1nnnc1C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cc2ccccc2o1
Show InChI InChI=1S/C29H27N7O3/c1-38-22-12-10-21(11-13-22)36-28(31-32-33-36)27(26-18-19-6-2-5-9-25(19)39-26)34-16-14-20(15-17-34)35-24-8-4-3-7-23(24)30-29(35)37/h2-13,18,20,27H,14-17H2,1H3,(H,30,37)
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n/an/a 1.27E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100259
PNG
(2-hydroxy-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-eny...)
Show SMILES Oc1c(ccccc1=O)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5/c18-14(13-3-1-2-4-15(19)16(13)20)10-7-11-5-8-12(9-6-11)17(21)22/h1-10H,(H,19,20)/b10-7+
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n/an/a 1.32E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM76151
PNG
(4-[11-[[(2S)-2-[4-[5-(tert-butoxycarbonylamino)pen...)
Show SMILES CC(C)(C)OC(=O)NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C35H63N7O7/c1-34(2,3)48-32(46)37-21-17-13-14-18-28-26-42(39-38-28)29(27-43)31(45)36-20-16-12-10-8-7-9-11-15-19-30(44)40-22-24-41(25-23-40)33(47)49-35(4,5)6/h26,29,43H,7-25,27H2,1-6H3,(H,36,45)(H,37,46)/t29-/m0/s1
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n/an/a 1.33E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM43390
PNG
((E)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C\c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10+
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n/an/a 1.94E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
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n/an/a 2.04E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100272
PNG
(MLS003585707 | N-[5-[2-(ethylamino)-5-(4-phenyl-1,...)
Show SMILES CCNc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(s1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N7OS2/c1-6-23-20-25-16(17-13(2)24-21(31-17)26-19(30)22(3,4)5)18(32-20)29-12-15(27-28-29)14-10-8-7-9-11-14/h7-12H,6H2,1-5H3,(H,23,25)(H,24,26,30)
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n/an/a 2.11E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100198
PNG
((4Z)-5-(2-furanyl)-4-[hydroxy-(5-methyl-1-phenyl-4...)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccco1
Show InChI InChI=1S/C25H26N4O5/c1-17-19(16-26-29(17)18-6-3-2-4-7-18)23(30)21-22(20-8-5-13-34-20)28(25(32)24(21)31)10-9-27-11-14-33-15-12-27/h2-8,13,16,21-22H,9-12,14-15H2,1H3
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n/an/a 2.13E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM79788
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2ccccc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S/c1-4-23-18(12-11-17-14-16(3)10-13-19(17)23)15-22-24(5-2)20-8-6-7-9-21(20)25-22/h6-15H,4-5H2,1-3H3/q+1
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100250
PNG
(MLS001159328 | N-[4-(3,4-dimethoxyphenyl)-1,3-thia...)
Show SMILES COc1ccc(cc1OC)-c1csc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)n1
Show InChI InChI=1S/C25H27N5O3S2/c1-14-15(2)35-24-21(14)22(26-13-27-24)30-9-7-16(8-10-30)23(31)29-25-28-18(12-34-25)17-5-6-19(32-3)20(11-17)33-4/h5-6,11-13,16H,7-10H2,1-4H3,(H,28,29,31)
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
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n/an/a 2.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM97161
PNG
((2Z)-2-[[1-(2-methoxyphenyl)-2,6-dimethyl-4-pyridi...)
Show SMILES COc1ccccc1-[n+]1c(C)cc(\C=C2/Sc3ccccc3N2C)cc1C
Show InChI InChI=1S/C23H23N2OS/c1-16-13-18(15-23-24(3)20-10-6-8-12-22(20)27-23)14-17(2)25(16)19-9-5-7-11-21(19)26-4/h5-15H,1-4H3/q+1
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n/an/a 2.78E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM41598
PNG
(4-[1-oxo-2-[[2-oxo-2-[[4-(4-phenylphenyl)-2-thiazo...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O4S2/c1-2-34-26(33)30-14-12-29(13-15-30)24(32)18-35-17-23(31)28-25-27-22(16-36-25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,27,28,31)
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n/an/a 2.84E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100275
PNG
((4-methoxyphenyl)-(1-thieno[2,3-d]pyrimidin-4-yl-4...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)c1ncnc2sccc12
Show InChI InChI=1S/C19H19N3O2S/c1-24-15-4-2-13(3-5-15)17(23)14-6-9-22(10-7-14)18-16-8-11-25-19(16)21-12-20-18/h2-5,8,11-12,14H,6-7,9-10H2,1H3
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM97173
PNG
(Dihydrorotenone | MLS002667630 | SMR001557390 | ci...)
Show SMILES COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(C)C
Show InChI InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100245
PNG
(2-(5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl)oxy-...)
Show SMILES COc1cc(NC(=O)COc2cc(O)c3C(=O)CC(C)(C)Oc3c2)cc(OC)c1OC
Show InChI InChI=1S/C22H25NO8/c1-22(2)10-15(25)20-14(24)8-13(9-16(20)31-22)30-11-19(26)23-12-6-17(27-3)21(29-5)18(7-12)28-4/h6-9,24H,10-11H2,1-5H3,(H,23,26)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100266
PNG
(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
Show InChI InChI=1S/C21H27N3O6S/c1-6-24(7-2)31(28,29)17-10-8-9-16(11-17)23-18(26)12-30-21(27)20-13(3)19(15(5)25)14(4)22-20/h8-11,22H,6-7,12H2,1-5H3,(H,23,26)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100210
PNG
(2,3-bis(4-methylphenyl)quinolizin-5-ium;bromide | ...)
Show SMILES Cc1ccc(cc1)-c1cc2cccc[n+]2cc1-c1ccc(C)cc1
Show InChI InChI=1S/C23H20N/c1-17-6-10-19(11-7-17)22-15-21-5-3-4-14-24(21)16-23(22)20-12-8-18(2)9-13-20/h3-16H,1-2H3/q+1
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100239
PNG
(MLS001028777 | N-[2-(1-cyclohexenyl)ethyl]-2-[3,4-...)
Show SMILES CC(C(=O)NCCC1=CCCCC1)n1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1
Show InChI InChI=1S/C25H31N5O2/c1-16-10-12-21(13-11-16)29-18(3)22-17(2)27-30(25(32)23(22)28-29)19(4)24(31)26-15-14-20-8-6-5-7-9-20/h8,10-13,19H,5-7,9,14-15H2,1-4H3,(H,26,31)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM63103
PNG
(4-methoxy-N-[2-[[[(Z)-(3-methoxy-4-oxidanylidene-c...)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NN=Cc1ccc(O)c(OC)c1
Show InChI InChI=1S/C23H21N3O5/c1-30-17-10-8-16(9-11-17)22(28)25-19-6-4-3-5-18(19)23(29)26-24-14-15-7-12-20(27)21(13-15)31-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100249
PNG
(3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-[...)
Show SMILES COc1cccc(CN(C)C(=O)c2ccc(OCC(=O)Nc3cccc(c3)C(F)(F)F)c(OC)c2)c1
Show InChI InChI=1S/C26H25F3N2O5/c1-31(15-17-6-4-9-21(12-17)34-2)25(33)18-10-11-22(23(13-18)35-3)36-16-24(32)30-20-8-5-7-19(14-20)26(27,28)29/h4-14H,15-16H2,1-3H3,(H,30,32)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM97144
PNG
(2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]me...)
Show SMILES Cc1oc(nc1CS(=O)CC(=O)NCCCN1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN4O3S/c1-21-25(30-27(35-21)23-8-10-24(28)11-9-23)19-36(34)20-26(33)29-12-5-13-31-14-16-32(17-15-31)18-22-6-3-2-4-7-22/h2-4,6-11H,5,12-20H2,1H3,(H,29,33)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM97145
PNG
(MLS001028746 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...)
Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2nc(C)c3c(C)n(nc3c2=O)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C26H29N5O4/c1-16-6-8-20(9-7-16)31-18(3)24-17(2)28-30(26(33)25(24)29-31)15-23(32)27-13-12-19-14-21(34-4)10-11-22(19)35-5/h6-11,14H,12-13,15H2,1-5H3,(H,27,32)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100253
PNG
(4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCc2ccccc12)C(=O)NCC(N1CCCC1)c1ccco1
Show InChI InChI=1S/C25H26ClN3O4S/c26-20-10-9-19(16-24(20)34(31,32)29-14-11-18-6-1-2-7-21(18)29)25(30)27-17-22(23-8-5-15-33-23)28-12-3-4-13-28/h1-2,5-10,15-16,22H,3-4,11-14,17H2,(H,27,30)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100240
PNG
(MLS001028797 | N-[2-(2,4-dimethoxyphenyl)ethyl]-2-...)
Show SMILES COc1ccc(CCNC(=O)C(C)n2nc(C)c3c(C)n(nc3c2=O)-c2ccc(C)cc2)c(OC)c1
Show InChI InChI=1S/C27H31N5O4/c1-16-7-10-21(11-8-16)31-18(3)24-17(2)29-32(27(34)25(24)30-31)19(4)26(33)28-14-13-20-9-12-22(35-5)15-23(20)36-6/h7-12,15,19H,13-14H2,1-6H3,(H,28,33)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM64718
PNG
(MLS001000456 | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-...)
Show SMILES COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC
Show InChI InChI=1S/C17H19N3O2S/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
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n/an/a 2.85E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM64675
PNG
(10-methyl-3-(4-phenylphenyl)-2H-[1,3,4]thiadiazino...)
Show SMILES C[n+]1c2SCC(=Nn2c2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N3S/c1-24-20-9-5-6-10-21(20)25-22(24)26-15-19(23-25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3/q+1
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n/an/a 2.85E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100256
PNG
(8-[8-(1H-benzimidazol-2-yl)octyl]-1,3-dimethyl-7H-...)
Show SMILES Cn1c2nc(CCCCCCCCc3nc4ccccc4[nH]3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H28N6O2/c1-27-20-19(21(29)28(2)22(27)30)25-18(26-20)14-8-6-4-3-5-7-13-17-23-15-11-9-10-12-16(15)24-17/h9-12H,3-8,13-14H2,1-2H3,(H,23,24)(H,25,26)
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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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM64484
PNG
(2-O-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethy...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C
Show InChI InChI=1S/C17H19N3O6S/c1-4-25-16(23)12-8(2)13(19-9(12)3)17(24)26-7-11(21)20-15-10(14(18)22)5-6-27-15/h5-6,19H,4,7H2,1-3H3,(H2,18,22)(H,20,21)
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n/an/a 2.98E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM36871
PNG
(MLS000027766 | N-[4-(1-Methanesulfonyl-2-methyl-2,...)
Show SMILES CC1Cc2cc(ccc2N1S(C)(=O)=O)-c1csc(NC(=O)Cc2cccs2)n1
Show InChI InChI=1S/C19H19N3O3S3/c1-12-8-14-9-13(5-6-17(14)22(12)28(2,24)25)16-11-27-19(20-16)21-18(23)10-15-4-3-7-26-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21,23)
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n/an/a 3.05E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM51840
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24/h8-15H,6-7H2,1-5H3/q+1
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n/an/a 3.09E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100221
PNG
(MLS000733096 | N-(2-imidazo[1,2-a]pyridin-2-ylethy...)
Show SMILES O=C(NCCc1cn2ccccc2n1)c1cc(COc2ccc3ncccc3c2)on1
Show InChI InChI=1S/C23H19N5O3/c29-23(25-10-8-17-14-28-11-2-1-5-22(28)26-17)21-13-19(31-27-21)15-30-18-6-7-20-16(12-18)4-3-9-24-20/h1-7,9,11-14H,8,10,15H2,(H,25,29)
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n/an/a 3.11E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM41610
PNG
(5-[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]-2-thi...)
Show SMILES Fc1ccc(cc1)-n1nnnc1-c1cnc(nc1C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C16H8F4N6S/c17-9-3-5-10(6-4-9)26-15(23-24-25-26)11-8-21-14(12-2-1-7-27-12)22-13(11)16(18,19)20/h1-8H
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n/an/a 3.34E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM91425
PNG
(4-[(1,2-dimethyl-4-pyrazolo[1,5-a]indol-1-iumylide...)
Show SMILES CN(C)c1ccc(C=c2c3cc(C)[n+](C)n3c3ccccc23)cc1
Show InChI InChI=1S/C21H22N3/c1-15-13-21-19(14-16-9-11-17(12-10-16)22(2)3)18-7-5-6-8-20(18)24(21)23(15)4/h5-14H,1-4H3/q+1
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n/an/a 3.65E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM64019
PNG
((6E)-6-[5-(4-tert-butylphenyl)-1,2-dihydropyrazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(n[nH]1)-c1ccccc1O
Show InChI InChI=1S/C19H20N2O/c1-19(2,3)14-10-8-13(9-11-14)16-12-17(21-20-16)15-6-4-5-7-18(15)22/h4-12,22H,1-3H3,(H,20,21)
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n/an/a 3.66E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100230
PNG
(4-propylbenzoic acid [(Z)-[amino(2-pyridinyl)methy...)
Show SMILES CCCc1ccc(cc1)C(=O)ON=C(N)c1ccccn1
Show InChI InChI=1S/C16H17N3O2/c1-2-5-12-7-9-13(10-8-12)16(20)21-19-15(17)14-6-3-4-11-18-14/h3-4,6-11H,2,5H2,1H3,(H2,17,19)
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n/an/a 3.67E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM89484
PNG
(MLS002702998 | Ossamycin | SMR001566807 | cid_5351...)
Show SMILES CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)\C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](OC4CCC(C(C)O4)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1
Show InChI InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15-,25-22+/t30-,31+,32?,33+,34+,35+,36?,37-,38-,40?,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1
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n/an/a 3.70E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM51881
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(4-meth...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H28N4O3S/c1-4-30(5-2)14-15-33-26(31)20-6-10-22(11-7-20)28-17-21(16-27)25-29-24(18-34-25)19-8-12-23(32-3)13-9-19/h6-13,17-18,21H,4-5,14-15H2,1-3H3
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n/an/a 3.70E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100208
PNG
((E)-3-(4-bromophenyl)-1-(2-methyl-5,6,7,8-tetrahyd...)
Show SMILES Cc1nc2CCCCc2cc1C(=O)C=Cc1ccc(Br)cc1
Show InChI InChI=1S/C19H18BrNO/c1-13-17(12-15-4-2-3-5-18(15)21-13)19(22)11-8-14-6-9-16(20)10-7-14/h6-12H,2-5H2,1H3
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n/an/a 3.79E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM38908
PNG
(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7...)
Show SMILES COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H23N5O3/c1-29-16-3-4-17-18(11-16)26-22-21(17)24-13-25-23(22)28-8-6-27(7-9-28)12-15-2-5-19-20(10-15)31-14-30-19/h2-5,10-11,13,26H,6-9,12,14H2,1H3
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n/an/a 3.96E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM63757
PNG
(5-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene...)
Show SMILES O=C1NC(=O)C(=NNc2ccc3OCCOc3c2)C(=O)N1
Show InChI InChI=1S/C12H10N4O5/c17-10-9(11(18)14-12(19)13-10)16-15-6-1-2-7-8(5-6)21-4-3-20-7/h1-2,5,15H,3-4H2,(H2,13,14,17,18,19)
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n/an/a 4.04E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM97184
PNG
(3-(3-pyridyl)-N-veratryl-benzofuran-7-carboxamide ...)
Show SMILES COc1ccc(CNC(=O)c2cccc3c(coc23)-c2cccnc2)cc1OC
Show InChI InChI=1S/C23H20N2O4/c1-27-20-9-8-15(11-21(20)28-2)12-25-23(26)18-7-3-6-17-19(14-29-22(17)18)16-5-4-10-24-13-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)
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n/an/a 4.34E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100229
PNG
(4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazine-1-...)
Show SMILES CCOCCCNC(=S)N1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H25FN4OS2/c1-2-25-13-3-8-21-18(26)23-9-11-24(12-10-23)19-22-17(14-27-19)15-4-6-16(20)7-5-15/h4-7,14H,2-3,8-13H2,1H3,(H,21,26)
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n/an/a 4.51E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM36917
PNG
(4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5...)
Show SMILES CCOC(=O)c1cnc(nc1NC1CCCCC1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H25N5O2/c1-4-25-17(24)15-11-19-18(23-13(3)10-12(2)22-23)21-16(15)20-14-8-6-5-7-9-14/h10-11,14H,4-9H2,1-3H3,(H,19,20,21)
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n/an/a 4.54E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100228
PNG
(4-(cyclopentylamino)-2-(3,5-dimethyl-1-pyrazolyl)-...)
Show SMILES CCOC(=O)c1cnc(nc1NC1CCCC1)-n1nc(C)cc1C
Show InChI InChI=1S/C17H23N5O2/c1-4-24-16(23)14-10-18-17(22-12(3)9-11(2)21-22)20-15(14)19-13-7-5-6-8-13/h9-10,13H,4-8H2,1-3H3,(H,18,19,20)
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n/an/a 5.03E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100260
PNG
(MLS002701991 | N-[(E)-[3-methyl-5-(trifluoromethyl...)
Show SMILES Cc1[nH]nc(c1N=NN1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C9H12F3N5O/c1-6-7(8(15-13-6)9(10,11)12)14-16-17-2-4-18-5-3-17/h2-5H2,1H3,(H,13,15)
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n/an/a 5.16E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%