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Compile Data Set for Download or QSAR

Found 384 hits Enz. Inhib. hit(s) with Target = 'large T antigen'   
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)
BDBM53352
PNG
(1-[4-[2-[bis(azanyl)methylidene]hydrazinyl]phenyl]...)
Show SMILES NC(N)=NNc1ccc(cc1)N=NC(N)=S
Show InChI InChI=1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,12H,(H2,11,16)(H4,9,10,14)
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n/an/an/an/a<100n/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)
BDBM55036
PNG
((5E)-1-(3,4-dimethylphenyl)-5-[(E)-3-(2-furanyl)pr...)
Show SMILES Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O
Show InChI InChI=1S/C19H16N2O4/c1-12-8-9-14(11-13(12)2)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-10-25-15/h3-11H,1-2H3,(H,20,22,24)
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n/an/an/an/a<100n/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)
BDBM59004
PNG
((5E)-5-(2-furanylmethylidene)-2-(4-hydroxyanilino)...)
Show SMILES Oc1ccc(NC2=NC(=O)C(S2)=Cc2ccco2)cc1
Show InChI InChI=1S/C14H10N2O3S/c17-10-5-3-9(4-6-10)15-14-16-13(18)12(20-14)8-11-2-1-7-19-11/h1-8,17H,(H,15,16,18)
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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)
BDBM52992
PNG
(4,5,7,8-tetrahydroxy-1,2-naphthoquinone | 4,5,7,8-...)
Show SMILES Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
Show InChI InChI=1S/C10H6O6/c11-3-1-5(13)9(15)8-7(3)4(12)2-6(14)10(8)16/h1,11,13,15H,2H2
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n/an/an/an/a<100n/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)
BDBM58996
PNG
(1-(3,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)sulfo...)
Show SMILES Oc1ccc(cc1O)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2O5S/c19-14-2-4-15(5-3-14)27(25,26)21-9-7-20(8-10-21)12-18(24)13-1-6-16(22)17(23)11-13/h1-6,11,22-23H,7-10,12H2
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n/an/an/an/a<100n/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)
BDBM59086
PNG
(1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)amidino]amino]...)
Show SMILES CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC
Show InChI InChI=1S/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36)
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n/an/an/an/a 3.49E+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)
BDBM59040
PNG
(Bis (1-epiallohelenalinyl) malonate | MLS000728545...)
Show SMILES C[C@@H]1C[C@@H](OC(=O)CC(=O)O[C@@H]2C[C@@H](C)[C@H]3C=CC(=O)[C@@]3(C)[C@H]3OC(=O)C(=C)[C@H]23)[C@@H]2[C@H](OC(=O)C2=C)[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C33H36O10/c1-14-11-20(26-16(3)30(38)42-28(26)32(5)18(14)7-9-22(32)34)40-24(36)13-25(37)41-21-12-15(2)19-8-10-23(35)33(19,6)29-27(21)17(4)31(39)43-29/h7-10,14-15,18-21,26-29H,3-4,11-13H2,1-2,5-6H3/t14-,15-,18-,19+,20-,21-,26-,27-,28+,29+,32+,33+/m1/s1
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n/an/an/an/a 3.95E+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)
BDBM59055
PNG
((7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-y...)
Show SMILES Cc1c(C)c2c(NN)ncnc2n1Cc1ccccc1
Show InChI InChI=1S/C15H17N5/c1-10-11(2)20(8-12-6-4-3-5-7-12)15-13(10)14(19-16)17-9-18-15/h3-7,9H,8,16H2,1-2H3,(H,17,18,19)
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n/an/an/an/a 6.12E+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)
BDBM59083
PNG
(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Show SMILES CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
Show InChI InChI=1S/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30/h19-25H,5-18,26-29H2,1-4H3/q+1
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n/an/an/an/a 7.39E+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)
BDBM59030
PNG
(1-Propyl-1H-perimidine | 1-propylperimidine | MLS0...)
Show SMILES CCCn1cnc2cccc3cccc1c23
Show InChI InChI=1S/C14H14N2/c1-2-9-16-10-15-12-7-3-5-11-6-4-8-13(16)14(11)12/h3-8,10H,2,9H2,1H3
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n/an/an/an/a 7.83E+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)
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

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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)
BDBM59082
PNG
(2-[2,5-diketo-4-methyl-4-(p-tolyl)imidazolidin-1-y...)
Show SMILES Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2nc(cs2)-c2ccccn2)C1=O
Show InChI InChI=1S/C21H19N5O3S/c1-13-6-8-14(9-7-13)21(2)18(28)26(20(29)25-21)11-17(27)24-19-23-16(12-30-19)15-5-3-4-10-22-15/h3-10,12H,11H2,1-2H3,(H,25,29)(H,23,24,27)
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n/an/an/an/a 1.13E+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)
BDBM57307
PNG
(4-(4-chloranylnaphthalen-1-yl)oxy-5-methoxy-2-pyri...)
Show SMILES COc1cnc(nc1Oc1ccc(Cl)c2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14ClN3O2/c1-25-18-12-23-19(16-8-4-5-11-22-16)24-20(18)26-17-10-9-15(21)13-6-2-3-7-14(13)17/h2-12H,1H3
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n/an/an/an/a 1.37E+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)
BDBM59002
PNG
((3-bromo-4-ethoxy-5-methoxy-benzyl)-(4-morpholinop...)
Show SMILES CCOc1c(Br)cc(CNc2ccc(cc2)N2CCOCC2)cc1OC
Show InChI InChI=1S/C20H25BrN2O3/c1-3-26-20-18(21)12-15(13-19(20)24-2)14-22-16-4-6-17(7-5-16)23-8-10-25-11-9-23/h4-7,12-13,22H,3,8-11,14H2,1-2H3
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n/an/an/an/a 1.38E+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)
BDBM59001
PNG
(1-[4-[4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)met...)
Show SMILES CCOc1c(Br)cc(CNc2ccc(cc2)N2CCN(CC2)C(C)=O)cc1OC
Show InChI InChI=1S/C22H28BrN3O3/c1-4-29-22-20(23)13-17(14-21(22)28-3)15-24-18-5-7-19(8-6-18)26-11-9-25(10-12-26)16(2)27/h5-8,13-14,24H,4,9-12,15H2,1-3H3
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n/an/an/an/a 1.42E+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)
BDBM34849
PNG
(6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-...)
Show SMILES Cc1ccccc1-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-4-2-3-5-12(9)16-14(17)11-7-6-10(15)8-13(11)18-16/h2-8H,1H3
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n/an/an/an/a 1.46E+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)
BDBM59039
PNG
(3-(4-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)p...)
Show SMILES Oc1ccc(cc1)N1CCN(CC1)C(=O)CCSc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-15-1-7-18(8-2-15)25-14-9-19(24)22-12-10-21(11-13-22)16-3-5-17(23)6-4-16/h1-8,23H,9-14H2
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n/an/an/an/a 1.46E+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)
BDBM59009
PNG
(1-(2,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)-3-p...)
Show SMILES COc1ccc(cc1)N1CCC(CNC(=S)Nc2ccc(C)cc2C)C1
Show InChI InChI=1S/C21H27N3OS/c1-15-4-9-20(16(2)12-15)23-21(26)22-13-17-10-11-24(14-17)18-5-7-19(25-3)8-6-18/h4-9,12,17H,10-11,13-14H2,1-3H3,(H2,22,23,26)
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n/an/an/an/a 1.50E+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)
BDBM58994
PNG
(MLS000677437 | N-cyclopentyl-6-methyl-2-(2-pyridin...)
Show SMILES Cc1ccc2nc(c(NC3CCCC3)n2c1)-c1ccccn1
Show InChI InChI=1S/C18H20N4/c1-13-9-10-16-21-17(15-8-4-5-11-19-15)18(22(16)12-13)20-14-6-2-3-7-14/h4-5,8-12,14,20H,2-3,6-7H2,1H3
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n/an/an/an/a 1.51E+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)
BDBM50247
PNG
((5Z)-5-({5-[(2-furylmethyl)thio]-2-furyl}methylene...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(SCc2ccco2)o1
Show InChI InChI=1S/C13H9NO3S3/c15-12-10(20-13(18)14-12)6-8-3-4-11(17-8)19-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15,18)
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n/an/an/an/a 1.52E+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)
BDBM53767
PNG
(2-(6,7-dichloro-1-hydroxy-3-keto-4H-1,2,4-benzotri...)
Show SMILES CCOC(=O)c1c2CCCCCc2sc1N1N(O)c2cc(Cl)c(Cl)cc2NC1=O
Show InChI InChI=1S/C19H19Cl2N3O4S/c1-2-28-18(25)16-10-6-4-3-5-7-15(10)29-17(16)23-19(26)22-13-8-11(20)12(21)9-14(13)24(23)27/h8-9,27H,2-7H2,1H3,(H,22,26)
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n/an/an/an/a 1.56E+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)
BDBM50728
PNG
(4-[2-[(E)-(2,5-diketo-1-phenyl-imidazolidin-4-ylid...)
Show SMILES OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C21H15N3O4/c25-19-18(22-21(28)24(19)16-5-2-1-3-6-16)13-17-7-4-12-23(17)15-10-8-14(9-11-15)20(26)27/h1-13H,(H,22,28)(H,26,27)
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n/an/an/an/a 1.56E+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)
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

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)
BDBM59008
PNG
(1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(...)
Show SMILES COc1ccc(cc1)N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1
Show InChI InChI=1S/C22H29N3OS/c1-15-11-16(2)21(17(3)12-15)24-22(27)23-13-18-9-10-25(14-18)19-5-7-20(26-4)8-6-19/h5-8,11-12,18H,9-10,13-14H2,1-4H3,(H2,23,24,27)
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n/an/an/an/a 1.59E+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)
BDBM58982
PNG
(2-(4-Hydroxy-phenylamino)-3-methoxy-[1,4]naphthoqu...)
Show SMILES COC1=C(Nc2ccc(O)cc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO4/c1-22-17-14(18-10-6-8-11(19)9-7-10)15(20)12-4-2-3-5-13(12)16(17)21/h2-9,18-19H,1H3
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n/an/an/an/a 1.65E+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)
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)
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

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)
BDBM29680
PNG
(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Show SMILES COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C25H18N2O6S/c1-32-16-6-4-5-15(10-16)27-24(31)17-7-2-3-8-19(17)26-25(27)34-13-14-9-23(30)33-22-12-21(29)20(28)11-18(14)22/h2-12,28-29H,13H2,1H3
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n/an/an/an/a 1.82E+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)
BDBM59038
PNG
(1-[4-(4-hydroxyphenyl)-1-piperazinyl]-3-(4-methylp...)
Show SMILES Cc1ccc(OCCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H24N2O3/c1-16-2-8-19(9-3-16)25-15-10-20(24)22-13-11-21(12-14-22)17-4-6-18(23)7-5-17/h2-9,23H,10-15H2,1H3
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n/an/an/an/a 2.07E+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)
BDBM58986
PNG
(2-methylpropyl 6-methyl-2-sulfanylidene-4-thiophen...)
Show SMILES CC(C)COC(=O)C1C(NC(=S)N=C1C)c1cccs1
Show InChI InChI=1S/C14H18N2O2S2/c1-8(2)7-18-13(17)11-9(3)15-14(19)16-12(11)10-5-4-6-20-10/h4-6,8,11-12H,7H2,1-3H3,(H,16,19)
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n/an/an/an/a 2.10E+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)
BDBM59006
PNG
(2-[(1E,3E,5E)-6-(dimethylamino)hexa-1,3,5-trienyl]...)
Show SMILES CN(C)\C=C\C=C\C=C\C1=[N+](C)c2ccccc2C1(C)C
Show InChI InChI=1S/C19H25N2/c1-19(2)16-12-9-10-13-17(16)21(5)18(19)14-8-6-7-11-15-20(3)4/h6-15H,1-5H3/q+1
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n/an/an/an/a 2.18E+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)
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)
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)
BDBM58858
PNG
((E)-1-(5-nitro-2-furyl)-3-(o-tolyl)prop-2-en-1-one...)
Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO4/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+
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n/an/an/an/a 2.36E+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)
BDBM59061
PNG
(10-propylacridin-10-ium;iodide | MLS001174468 | SM...)
Show SMILES CCC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C16H16N/c1-2-11-17-15-9-5-3-7-13(15)12-14-8-4-6-10-16(14)17/h3-10,12H,2,11H2,1H3/q+1
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n/an/an/an/a 2.38E+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)
BDBM59060
PNG
(10-butylacridin-10-ium;iodide | MLS001174469 | SMR...)
Show SMILES CCCC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C17H18N/c1-2-3-12-18-16-10-6-4-8-14(16)13-15-9-5-7-11-17(15)18/h4-11,13H,2-3,12H2,1H3/q+1
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n/an/an/an/a 2.39E+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)
BDBM55058
PNG
(2,6,7-trihydroxy-9-(2-nitrophenyl)-3-xanthenone | ...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O
Show InChI InChI=1S/C19H11NO7/c21-13-5-10-17(7-15(13)23)27-18-8-16(24)14(22)6-11(18)19(10)9-3-1-2-4-12(9)20(25)26/h1-8,21-23H
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n/an/an/an/a 2.41E+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)
BDBM59046
PNG
(MLS001179577 | N-(tert-butyl)-2-(2-methoxy-4-{[4-(...)
Show SMILES COc1cc(CNc2ccc(cc2)N2CCCCC2)ccc1OCC(=O)NC(C)(C)C
Show InChI InChI=1S/C25H35N3O3/c1-25(2,3)27-24(29)18-31-22-13-8-19(16-23(22)30-4)17-26-20-9-11-21(12-10-20)28-14-6-5-7-15-28/h8-13,16,26H,5-7,14-15,17-18H2,1-4H3,(H,27,29)
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n/an/an/an/a 2.45E+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)
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)
BDBM59031
PNG
(1-Ethyl-1H-perimidine | 1-ethylperimidine | MLS000...)
Show SMILES CCn1cnc2cccc3cccc1c23
Show InChI InChI=1S/C13H12N2/c1-2-15-9-14-11-7-3-5-10-6-4-8-12(15)13(10)11/h3-9H,2H2,1H3
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n/an/an/an/a 2.47E+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)
BDBM47293
PNG
((4Z)-4-[[5-(2-bromophenyl)-2-furanyl]methylidene]-...)
Show SMILES CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccccc1Br
Show InChI InChI=1S/C15H10BrNO3/c1-9-12(15(18)20-17-9)8-10-6-7-14(19-10)11-4-2-3-5-13(11)16/h2-8H,1H3/b12-8-
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n/an/an/an/a 2.47E+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)
BDBM59025
PNG
(3-(2-furanyl)-4-[(4-methylphenyl)methylideneamino]...)
Show SMILES Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)cc1
Show InChI InChI=1S/C14H12N4OS/c1-10-4-6-11(7-5-10)9-15-18-13(16-17-14(18)20)12-3-2-8-19-12/h2-9H,1H3,(H,17,20)
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n/an/an/an/a 2.47E+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)
BDBM50042982
PNG
(2',3,4-trihydroxychalcone | 3-(3,4-Dihydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O
Show InChI InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-5+
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n/an/an/an/a 2.63E+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)
BDBM58992
PNG
(4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyr...)
Show SMILES CN(C)c1ccc(Nc2nc(cs2)-c2c(C)nc3ncccn23)cc1
Show InChI InChI=1S/C18H18N6S/c1-12-16(24-10-4-9-19-17(24)20-12)15-11-25-18(22-15)21-13-5-7-14(8-6-13)23(2)3/h4-11H,1-3H3,(H,21,22)
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n/an/an/an/a 2.75E+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)
BDBM58985
PNG
(MLS000697418 | N-[2-(1H-indol-3-yl)ethyl]-N'-[(3-t...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H28N4O5S/c1-17-7-9-19(10-8-17)34(31,32)28-13-4-14-33-22(28)16-27-24(30)23(29)25-12-11-18-15-26-21-6-3-2-5-20(18)21/h2-3,5-10,15,22,26H,4,11-14,16H2,1H3,(H,25,29)(H,27,30)
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n/an/an/an/a 2.77E+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)
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/an/an/a 2.82E+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)
BDBM59079
PNG
(2-(2,4-dinitrophenyl)isoquinolin-2-ium;chloride | ...)
Show SMILES [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)-[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C15H10N3O4/c19-17(20)13-5-6-14(15(9-13)18(21)22)16-8-7-11-3-1-2-4-12(11)10-16/h1-10H/q+1
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n/an/an/an/a 2.90E+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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