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Compile Data Set for Download or QSAR

Found 211 hits Enz. Inhib. hit(s) with all data for entry = 4249   
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
large T antigen


(Simian virus 40)
BDBM58946
PNG
(MLS000035415 | N-(2-keto-1,3-benzoxathiol-5-yl)-N-...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C13H9NO5S3/c1-8(15)14(22(17,18)12-3-2-6-20-12)9-4-5-10-11(7-9)21-13(16)19-10/h2-7H,1H3
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n/an/an/an/a 3.38E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58947
PNG
((2-Amino-5-methyl-thiophen-3-yl)-thiophen-2-yl-met...)
Show SMILES Cc1cc(C(=O)c2cccs2)c(N)s1
Show InChI InChI=1S/C10H9NOS2/c1-6-5-7(10(11)14-6)9(12)8-3-2-4-13-8/h2-5H,11H2,1H3
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n/an/an/an/a 3.58E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58948
PNG
(4-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]amino...)
Show SMILES Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H20N4O2/c24-14-9-7-13(8-10-14)21-19-22-17-6-2-1-5-16(17)18(23-19)20-12-15-4-3-11-25-15/h1-2,5-10,15,24H,3-4,11-12H2,(H2,20,21,22,23)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM32012
PNG
(1-(3,4-Dihydroxy-phenyl)-2-(5-phenyl-4H-[1,2,4]tri...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O3S/c20-12-7-6-11(8-13(12)21)14(22)9-23-16-17-15(18-19-16)10-4-2-1-3-5-10/h1-8,20-21H,9H2,(H,17,18,19)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM40577
PNG
(4-(4-Pyrrolidin-1-yl-quinazolin-2-ylamino)-phenol ...)
Show SMILES Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C18H18N4O/c23-14-9-7-13(8-10-14)19-18-20-16-6-2-1-5-15(16)17(21-18)22-11-3-4-12-22/h1-2,5-10,23H,3-4,11-12H2,(H,19,20,21)
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n/an/an/an/a 3.07E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58949
PNG
(MLS000033552 | N-(4-Dimethylamino-phenyl)-2-[4-(4-...)
Show SMILES CN(C)c1ccc(NC(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c1-25(2)20-9-7-19(8-10-20)24-21(27)15-26-13-11-17(12-14-26)22(28)16-3-5-18(23)6-4-16/h3-10,17H,11-15H2,1-2H3,(H,24,27)
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Southern Research Specialized Biocontainment Screening Center

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Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58950
PNG
(MLS000079753 | SMR000038195 | bis[3-amino-4-(dimet...)
Show SMILES CN(C)c1ccc(cc1N)C(=O)c1ccc(N(C)C)c(N)c1
Show InChI InChI=1S/C17H22N4O/c1-20(2)15-7-5-11(9-13(15)18)17(22)12-6-8-16(21(3)4)14(19)10-12/h5-10H,18-19H2,1-4H3
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58951
PNG
(MLS000038944 | N-(2-methyl-4-nitroso-1H-indol-5-yl...)
Show SMILES Cc1cc2c(N=O)c(NO)ccc2[nH]1
Show InChI InChI=1S/C9H9N3O2/c1-5-4-6-7(10-5)2-3-8(11-13)9(6)12-14/h2-4,10-11,13H,1H3
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n/an/an/an/a 2.21E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM32041
PNG
(3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3
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n/an/an/an/a 4.84E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM31751
PNG
(3-[(2-chlorobenzyl)thio]-5,6-bis(2-furyl)-1,2,4-tr...)
Show SMILES Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C18H12ClN3O2S/c19-13-6-2-1-5-12(13)11-25-18-20-16(14-7-3-9-23-14)17(21-22-18)15-8-4-10-24-15/h1-10H,11H2
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n/an/an/an/a 2.46E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM39547
PNG
(5-chloranyl-N-(2,5-diethoxy-4-morpholin-4-yl-pheny...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C18H23ClN2O5S2/c1-3-25-15-12-14(21-7-9-24-10-8-21)16(26-4-2)11-13(15)20-28(22,23)18-6-5-17(19)27-18/h5-6,11-12,20H,3-4,7-10H2,1-2H3
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n/an/an/an/a 4.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58952
PNG
(MLS000055080 | N-(4-chloranyl-2-methoxy-phenyl)-2-...)
Show SMILES COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N1CCN(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C26H26ClN3O5/c1-34-24-16-18(27)6-11-22(24)28-25(32)17-35-23-5-3-2-4-21(23)26(33)30-14-12-29(13-15-30)19-7-9-20(31)10-8-19/h2-11,16,31H,12-15,17H2,1H3,(H,28,32)
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n/an/an/an/a 3.37E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM48554
PNG
((4Z)-3-hydroxy-4-(4-quinolin-8-yl-1,2-dihydropyraz...)
Show SMILES Oc1ccc(-c2n[nH]cc2-c2cccc3cccnc23)c(O)c1
Show InChI InChI=1S/C18H13N3O2/c22-12-6-7-14(16(23)9-12)18-15(10-20-21-18)13-5-1-3-11-4-2-8-19-17(11)13/h1-10,22-23H,(H,20,21)
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n/an/an/an/a 1.73E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM34336
PNG
(2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S2/c25-21-17-3-1-2-4-20(17)30-24(21)19-15-16(31(26,27)23-9-13-29-14-10-23)5-6-18(19)22-7-11-28-12-8-22/h1-6,15H,7-14H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM34340
PNG
(2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1,2-b...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3
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n/an/an/an/a 1.47E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM30842
PNG
((2Z)-7-hydroxy-2-[(4-methylphenyl)imino]-2H-chrome...)
Show SMILES Cc1ccc(Nc2oc3cc(=O)ccc3cc2C(N)=O)cc1
Show InChI InChI=1S/C17H14N2O3/c1-10-2-5-12(6-3-10)19-17-14(16(18)21)8-11-4-7-13(20)9-15(11)22-17/h2-9,19H,1H3,(H2,18,21)
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Southern Research Specialized Biocontainment Screening Center

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Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM37699
PNG
(MLS000094738 | N-cyclopentyl-5-keto-1-thioxo-4H-th...)
Show SMILES O=C(NC1CCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C16H15N3O2S2/c20-14-10-7-3-4-8-11(10)19-13(18-14)12(23-16(19)22)15(21)17-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,17,21)(H,18,20)
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n/an/an/an/a 1.59E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58953
PNG
(4-[[4-(dimethylamino)anilino]-oxomethyl]-1-ethyl-3...)
Show SMILES CCOC(=O)c1c(C)c(C(=O)Nc2ccc(cc2)N(C)C)c(C)n1CC
Show InChI InChI=1S/C20H27N3O3/c1-7-23-14(4)17(13(3)18(23)20(25)26-8-2)19(24)21-15-9-11-16(12-10-15)22(5)6/h9-12H,7-8H2,1-6H3,(H,21,24)
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Southern Research Specialized Biocontainment Screening Center

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Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM37717
PNG
(MLS000094737 | N-butyl-5-keto-1-thioxo-4H-thiazolo...)
Show SMILES CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H15N3O2S2/c1-2-3-8-16-14(20)11-12-17-13(19)9-6-4-5-7-10(9)18(12)15(21)22-11/h4-7H,2-3,8H2,1H3,(H,16,20)(H,17,19)
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n/an/an/an/a 3.18E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58954
PNG
(MLS000094393 | N-[2-[4-(4-methoxyphenyl)-1-piperaz...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)C1CCCCC1)c1cccnc1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-11-9-22(10-12-23)28-14-16-29(17-15-28)24(21-8-5-13-26-18-21)19-27-25(30)20-6-3-2-4-7-20/h5,8-13,18,20,24H,2-4,6-7,14-17,19H2,1H3,(H,27,30)
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Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58955
PNG
(MLS000046710 | N-[4-(dimethylamino)phenyl]-2-(2-ke...)
Show SMILES CN(C)c1ccc(NC(=O)CN2c3ccccc3C(=NCC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H24N4O2/c1-28(2)20-14-12-19(13-15-20)27-23(30)17-29-22-11-7-6-10-21(22)25(26-16-24(29)31)18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,27,30)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM34392
PNG
(5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-p...)
Show SMILES CC(C)C1N=C2N(C1=O)C(SCC(=O)c1ccc(O)c(O)c1)=Nc1ccccc21
Show InChI InChI=1S/C21H19N3O4S/c1-11(2)18-20(28)24-19(23-18)13-5-3-4-6-14(13)22-21(24)29-10-17(27)12-7-8-15(25)16(26)9-12/h3-9,11,18,25-26H,10H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM44451
PNG
(MLS000043622 | N-(2-oxidanylidene-1,3-benzoxathiol...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO5S2/c1-10(17)16(23(19,20)12-5-3-2-4-6-12)11-7-8-13-14(9-11)22-15(18)21-13/h2-9H,1H3
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n/an/an/an/a 3.68E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58956
PNG
(2-(2,5-Dimethyl-phenyl)-1H-benzoimidazol-5-ylamine...)
Show SMILES Cc1ccc(C)c(c1)-c1nc2ccc(N)cc2[nH]1
Show InChI InChI=1S/C15H15N3/c1-9-3-4-10(2)12(7-9)15-17-13-6-5-11(16)8-14(13)18-15/h3-8H,16H2,1-2H3,(H,17,18)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM37752
PNG
(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Show SMILES CCOC(=O)N1CCN(CC1)c1cc(NCCC(O)=O)c2C(=O)c3ccccc3-c3onc1c23
Show InChI InChI=1S/C24H24N4O6/c1-2-33-24(32)28-11-9-27(10-12-28)17-13-16(25-8-7-18(29)30)19-20-21(17)26-34-23(20)15-6-4-3-5-14(15)22(19)31/h3-6,13,25H,2,7-12H2,1H3,(H,29,30)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58957
PNG
(MLS000050129 | N-[4-(diethylamino)-2-methyl-phenyl...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cccc(C)c2OC)c(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-6-22(7-2)16-11-12-18(15(4)13-16)21-20(23)17-10-8-9-14(3)19(17)24-5/h8-13H,6-7H2,1-5H3,(H,21,23)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58958
PNG
(5-amino-N-(2-methylphenyl)-2-(1-piperidinyl)benzam...)
Show SMILES Cc1ccccc1NC(=O)c1cc(N)ccc1N1CCCCC1
Show InChI InChI=1S/C19H23N3O/c1-14-7-3-4-8-17(14)21-19(23)16-13-15(20)9-10-18(16)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,20H2,1H3,(H,21,23)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58959
PNG
(MLS000115095 | SMR000092326 | [4-[4-(1,3-benzodiox...)
Show SMILES O=C(N1CCN(CC1)c1ccc(NCc2ccc3OCOc3c2)cc1)c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c29-25(20-4-2-1-3-5-20)28-14-12-27(13-15-28)22-9-7-21(8-10-22)26-17-19-6-11-23-24(16-19)31-18-30-23/h1-11,16,26H,12-15,17-18H2
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n/an/an/an/a 1.73E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58960
PNG
((4E)-2-methoxy-4-(3-phenylimino-1,7-dihydroimidazo...)
Show SMILES COc1cc(ccc1O)-c1nc2c[nH]ccn2c1=Nc1ccccc1
Show InChI InChI=1S/C19H16N4O2/c1-25-16-11-13(7-8-15(16)24)18-19(21-14-5-3-2-4-6-14)23-10-9-20-12-17(23)22-18/h2-12,20,24H,1H3
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM37483
PNG
(8-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-6-oxid...)
Show SMILES COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(OC)c1OC
Show InChI InChI=1S/C23H23N3O4S/c1-28-16-9-7-15(8-10-16)25-13-26-21(27)11-18(19(12-24)23(26)31-14-25)17-5-4-6-20(29-2)22(17)30-3/h4-10,18H,11,13-14H2,1-3H3
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58961
PNG
((3-chloro-4-morpholino-phenyl)-(2-thenyl)amine | 3...)
Show SMILES Clc1cc(NCc2cccs2)ccc1N1CCOCC1
Show InChI InChI=1S/C15H17ClN2OS/c16-14-10-12(17-11-13-2-1-9-20-13)3-4-15(14)18-5-7-19-8-6-18/h1-4,9-10,17H,5-8,11H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM32689
PNG
((3-Furan-2-ylmethyl-8-methyl-3,4-dihydro-1-thia-3,...)
Show SMILES COCC\N=C1/Sc2nc3c(C)cccc3cc2CN1Cc1ccco1
Show InChI InChI=1S/C20H21N3O2S/c1-14-5-3-6-15-11-16-12-23(13-17-7-4-9-25-17)20(21-8-10-24-2)26-19(16)22-18(14)15/h3-7,9,11H,8,10,12-13H2,1-2H3/b21-20-
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n/an/an/an/a 2.30E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58962
PNG
(Cyclopentyl-[2-(4-diethylamino-phenyl)-imidazo[1,2...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1
Show InChI InChI=1S/C21H27N5/c1-3-25(4-2)18-11-9-16(10-12-18)20-21(23-17-7-5-6-8-17)26-14-13-22-15-19(26)24-20/h9-15,17,23H,3-8H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58963
PNG
(1-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5,6-tetrahydr...)
Show SMILES C1CCN=C(CC1)NNc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H18N4S/c1-3-7-12(8-4-1)13-11-20-15(17-13)19-18-14-9-5-2-6-10-16-14/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,18)(H,17,19)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM34679
PNG
(1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-p...)
Show SMILES COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccccc2)C1
Show InChI InChI=1S/C19H23N3O2/c1-24-18-9-7-17(8-10-18)22-12-11-15(14-22)13-20-19(23)21-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H2,20,21,23)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM43991
PNG
((4E)-2-methoxy-4-[(2-methyl-2-phenyl-hydrazinyl)me...)
Show SMILES COc1cc(C=NN(C)c2ccccc2)ccc1O
Show InChI InChI=1S/C15H16N2O2/c1-17(13-6-4-3-5-7-13)16-11-12-8-9-14(18)15(10-12)19-2/h3-11,18H,1-2H3
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58964
PNG
((4E)-4-[4-(3,4-dimethoxyphenyl)-5-methyl-1,2-dihyd...)
Show SMILES COc1ccc(cc1OC)-c1c(C)[nH]nc1-c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O4/c1-10-17(11-4-7-15(23-2)16(8-11)24-3)18(20-19-10)13-6-5-12(21)9-14(13)22/h4-9,21-22H,1-3H3,(H,19,20)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58965
PNG
(2-(2,4-dinitrophenyl)sulfanyl-1,3-benzoxazole | 2-...)
Show SMILES [O-][N+](=O)c1ccc(Sc2nc3ccccc3o2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H7N3O5S/c17-15(18)8-5-6-12(10(7-8)16(19)20)22-13-14-9-3-1-2-4-11(9)21-13/h1-7H
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58966
PNG
(MLS000520196 | N-cyclohexyl-2-(5-methyl-2-furanyl)...)
Show SMILES Cc1ccc(o1)-c1nc2ncccn2c1NC1CCCCC1
Show InChI InChI=1S/C17H20N4O/c1-12-8-9-14(22-12)15-16(19-13-6-3-2-4-7-13)21-11-5-10-18-17(21)20-15/h5,8-11,13,19H,2-4,6-7H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM34684
PNG
(1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)-3-pyrr...)
Show SMILES COc1ccc(cc1)N1CCC(CNC(=O)Nc2cccc(OC)c2)C1
Show InChI InChI=1S/C20H25N3O3/c1-25-18-8-6-17(7-9-18)23-11-10-15(14-23)13-21-20(24)22-16-4-3-5-19(12-16)26-2/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,21,22,24)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58967
PNG
(5-[(4-Hydroxy-phenyl)-hydrazono]-2,2-dimethyl-[1,3...)
Show SMILES CC1(C)OC(=O)C(=NNc2ccc(O)cc2)C(=O)O1
Show InChI InChI=1S/C12H12N2O5/c1-12(2)18-10(16)9(11(17)19-12)14-13-7-3-5-8(15)6-4-7/h3-6,13,15H,1-2H3
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n/an/an/an/a 3.07E+3n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM49151
PNG
(2-(3-Furan-2-ylmethyl-2,4-dioxo-3,4,6,7,8,9-hexahy...)
Show SMILES NC(=O)Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O
Show InChI InChI=1S/C18H19N3O4S/c19-14(22)10-21-17-15(12-6-2-1-3-7-13(12)26-17)16(23)20(18(21)24)9-11-5-4-8-25-11/h4-5,8H,1-3,6-7,9-10H2,(H2,19,22)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58968
PNG
((5Z)-5-(4-hydroxy-6-keto-3-propyl-cyclohexa-2,4-di...)
Show SMILES CCCc1cc(-c2n[nH]c(C(=O)OCC)c2-c2cscn2)c(O)cc1O
Show InChI InChI=1S/C18H19N3O4S/c1-3-5-10-6-11(14(23)7-13(10)22)16-15(12-8-26-9-19-12)17(21-20-16)18(24)25-4-2/h6-9,22-23H,3-5H2,1-2H3,(H,20,21)
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n/an/an/an/a 1.11E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58969
PNG
((5Z)-5-(3-ethyl-4-hydroxy-6-keto-cyclohexa-2,4-die...)
Show SMILES CCOC(=O)c1[nH]nc(c1-c1cscn1)-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C17H17N3O4S/c1-3-9-5-10(13(22)6-12(9)21)15-14(11-7-25-8-18-11)16(20-19-15)17(23)24-4-2/h5-8,21-22H,3-4H2,1-2H3,(H,19,20)
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n/an/an/an/a 3.37E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM34709
PNG
(MLS000567780 | N-(1-adamantyl)-2-(3-keto-1,2-benzo...)
Show SMILES O=C(Cn1sc2ccccc2c1=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H22N2O2S/c22-17(11-21-18(23)15-3-1-2-4-16(15)24-21)20-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,22)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM50115
PNG
(3-hydroxy-N-[[5-[4-(2-pyrimidinylsulfamoyl)phenyl]...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM52328
PNG
(3-(2-{[3-(2-cyanobenzyl)-2,4-dioxo-1,3-thiazolidin...)
Show SMILES OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O
Show InChI InChI=1S/C23H15N3O4S/c24-13-16-5-1-2-6-17(16)14-26-21(27)20(31-23(26)30)12-19-9-4-10-25(19)18-8-3-7-15(11-18)22(28)29/h1-12H,14H2,(H,28,29)/b20-12+
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n/an/an/an/a 1.69E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58970
PNG
(4-({2-[2-(methylamino)propyl]phenyl}sulfanyl)pheno...)
Show SMILES CNC(C)Cc1ccccc1Sc1ccc(O)cc1
Show InChI InChI=1S/C16H19NOS/c1-12(17-2)11-13-5-3-4-6-16(13)19-15-9-7-14(18)8-10-15/h3-10,12,17-18H,11H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58971
PNG
(4-({2-[2-(dimethylamino)propyl]phenyl}sulfanyl)phe...)
Show SMILES CC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C
Show InChI InChI=1S/C17H21NOS/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16/h4-11,13,19H,12H2,1-3H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
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