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Compile Data Set for Download or QSAR

Found 164 hits Enz. Inhib. hit(s) with all data for entry = 5567   
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
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM50826
PNG
(2-azanylidene-N-(furan-2-ylmethyl)-1-[2-(2-hydroxy...)
Show SMILES Cc1cccn2c1nc1n(CCOCCO)c(=N)c(cc1c2=O)C(=O)NCc1ccco1
Show InChI InChI=1S/C22H23N5O5/c1-14-4-2-6-27-19(14)25-20-17(22(27)30)12-16(18(23)26(20)7-10-31-11-8-28)21(29)24-13-15-5-3-9-32-15/h2-6,9,12,23,28H,7-8,10-11,13H2,1H3,(H,24,29)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87595
PNG
(1-(2-Methyl-piperidin-1-yl)-2-(5-pyridin-3-yl-tetr...)
Show SMILES CC1CCCCN1C(=O)Cn1nnc(n1)-c1cccnc1
Show InChI InChI=1S/C14H18N6O/c1-11-5-2-3-8-19(11)13(21)10-20-17-14(16-18-20)12-6-4-7-15-9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM50757
PNG
(6-methoxy-2-(1-piperidinyl)-3-quinolinecarbonitril...)
Show SMILES COc1ccc2nc(N3CCCCC3)c(cc2c1)C#N
Show InChI InChI=1S/C16H17N3O/c1-20-14-5-6-15-12(10-14)9-13(11-17)16(18-15)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3
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n/an/a 1.85E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM81005
PNG
(1,3-benzodioxol-5-yl(4-pyridylmethyl)amine | MLS00...)
Show SMILES C(Nc1ccc2OCOc2c1)c1ccncc1
Show InChI InChI=1S/C13H12N2O2/c1-2-12-13(17-9-16-12)7-11(1)15-8-10-3-5-14-6-4-10/h1-7,15H,8-9H2
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n/an/a 2.35E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87621
PNG
(8-(2-furanyl)-3,3-dimethyl-6-oxo-4,7-dihydro-1H-th...)
Show SMILES CC1(C)Cc2c(CS1)c([nH]c(=O)c2C#N)-c1ccco1
Show InChI InChI=1S/C15H14N2O2S/c1-15(2)6-9-10(7-16)14(18)17-13(11(9)8-20-15)12-4-3-5-19-12/h3-5H,6,8H2,1-2H3,(H,17,18)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM50831
PNG
(1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimid...)
Show SMILES CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C
Show InChI InChI=1S/C12H22N4O2/c1-7-9-8(2)14(4)12(18)16(6)10(9)15(5)11(17)13(7)3/h7-10H,1-6H3
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n/an/a 2.91E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87668
PNG
(6-amino-5-cyano-2-(2-ethoxy-2-keto-ethyl)-4-(5-met...)
Show SMILES CCOC(=O)CC1=C(C(C(C#N)C(=N)O1)c1ccc(C)o1)C(=O)OCC |t:6|
Show InChI InChI=1S/C18H20N2O6/c1-4-23-14(21)8-13-16(18(22)24-5-2)15(11(9-19)17(20)26-13)12-7-6-10(3)25-12/h6-7,11,15,20H,4-5,8H2,1-3H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM50776
PNG
(6-chloranyl-3-methyl-1H-imidazo[4,5-b]pyridin-2-on...)
Show SMILES Cn1c2ncc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C7H6ClN3O/c1-11-6-5(10-7(11)12)2-4(8)3-9-6/h2-3H,1H3,(H,10,12)
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n/an/a 3.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM32076
PNG
(1-ethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]b...)
Show SMILES CCn1c(CSc2nccn2C)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C15H16N4O2S/c1-3-19-12-5-4-10(14(20)21)8-11(12)17-13(19)9-22-15-16-6-7-18(15)2/h4-8H,3,9H2,1-2H3,(H,20,21)
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n/an/a 3.67E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM39870
PNG
(6-chloranyl-4-methyl-8-[(4-methylpiperidin-1-yl)me...)
Show SMILES CC1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
Show InChI InChI=1S/C17H20ClNO3/c1-10-3-5-19(6-4-10)9-13-16(21)14(18)8-12-11(2)7-15(20)22-17(12)13/h7-8,10,21H,3-6,9H2,1-2H3
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n/an/a 3.77E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM50231727
PNG
(CHEMBL253348 | cid_2931812 | pyrazine-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C15H19N3O/c19-14(13-9-16-1-2-17-13)18-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H,18,19)
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n/an/a 3.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87660
PNG
(MLS000094480 | N,N,1,9-tetramethyl-4-oxo-1,4-dihyd...)
Show SMILES CN(C)C(=O)c1cc2c(nc3c(C)cccn3c2=O)n1C
Show InChI InChI=1S/C15H16N4O2/c1-9-6-5-7-19-12(9)16-13-10(14(19)20)8-11(18(13)4)15(21)17(2)3/h5-8H,1-4H3
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n/an/a 3.93E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87639
PNG
(2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4...)
Show SMILES Cc1cc2c(CCCC2=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C16H17NO/c1-11-6-8-13(9-7-11)17-12(2)10-14-15(17)4-3-5-16(14)18/h6-10H,3-5H2,1-2H3
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n/an/a 4.12E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM38028
PNG
((2-anilino-2-oxoethyl) 3-(2-oxo-1,3-dihydroimidazo...)
Show SMILES O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1
Show InChI InChI=1S/C14H15N3O4/c18-12(16-10-4-2-1-3-5-10)9-21-13(19)7-6-11-8-15-14(20)17-11/h1-5,8H,6-7,9H2,(H,16,18)(H2,15,17,20)
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n/an/a 4.49E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87612
PNG
(3-Chloro-4-(4-methyl-piperazin-1-yl)-1-phenethyl-p...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(CCc2ccccc2)C1=O |c:8|
Show InChI InChI=1S/C17H20ClN3O2/c1-19-9-11-20(12-10-19)15-14(18)16(22)21(17(15)23)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
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n/an/a 4.91E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM50827
PNG
(2-(4-carbamoyl-1-piperidinyl)-4-oxo-3,1-benzothiaz...)
Show SMILES COC(=O)c1ccc2c(c1)nc(sc2=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C16H17N3O4S/c1-23-14(21)10-2-3-11-12(8-10)18-16(24-15(11)22)19-6-4-9(5-7-19)13(17)20/h2-3,8-9H,4-7H2,1H3,(H2,17,20)
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n/an/a 5.26E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM40037
PNG
((3aS,4R,9bR)-4-(2-pyridinyl)-3a,4,5,9b-tetrahydro-...)
Show SMILES OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1 |c:11|
Show InChI InChI=1S/C18H16N2O2/c21-18(22)11-7-8-15-14(10-11)12-4-3-5-13(12)17(20-15)16-6-1-2-9-19-16/h1-4,6-10,12-13,17,20H,5H2,(H,21,22)/t12-,13+,17-/m1/s1
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n/an/a 5.34E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87664
PNG
(2-[(1,2-dimethyl-5-indolyl)methyl]isoindole-1,3-di...)
Show SMILES Cc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2n1C
Show InChI InChI=1S/C19H16N2O2/c1-12-9-14-10-13(7-8-17(14)20(12)2)11-21-18(22)15-5-3-4-6-16(15)19(21)23/h3-10H,11H2,1-2H3
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n/an/a 5.52E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87630
PNG
(1-(2-methoxyethyl)-3-(phenylsulfonyl)-2H-imidazo[4...)
Show SMILES COCCN1CN(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H18N4O3S/c1-25-12-11-21-13-22(26(23,24)14-7-3-2-4-8-14)18-17(21)19-15-9-5-6-10-16(15)20-18/h2-10H,11-13H2,1H3
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n/an/a 5.54E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM34377
PNG
(3-keto-2-pyrrolidino-4H-1,4-benzothiazine-6-carbox...)
Show SMILES OC(=O)c1ccc2SC(N3CCCC3)C(=O)Nc2c1
Show InChI InChI=1S/C13H14N2O3S/c16-11-12(15-5-1-2-6-15)19-10-4-3-8(13(17)18)7-9(10)14-11/h3-4,7,12H,1-2,5-6H2,(H,14,16)(H,17,18)
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n/an/a 5.56E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM50813
PNG
(3-amino-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzo...)
Show SMILES Nc1sc(=S)c2CCCCc2c1C#N
Show InChI InChI=1S/C10H10N2S2/c11-5-8-6-3-1-2-4-7(6)10(13)14-9(8)12/h1-4,12H2
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n/an/a 5.74E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM40632
PNG
((3R,4S,5S)-2-(6,8-dimethyl-1-pyrrolo[2,3-g]quinoli...)
Show SMILES Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N2O4/c1-9-5-10(2)19-13-6-11-3-4-20(14(11)7-12(9)13)18-17(23)16(22)15(21)8-24-18/h3-7,15-18,21-23H,8H2,1-2H3/t15-,16-,17+,18?/m0/s1
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n/an/a 5.76E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM40936
PNG
((2-Cyclopropyl-quinazolin-4-ylsulfanyl)-acetic aci...)
Show SMILES CCOC(=O)CSc1nc(nc2ccccc12)C1CC1
Show InChI InChI=1S/C15H16N2O2S/c1-2-19-13(18)9-20-15-11-5-3-4-6-12(11)16-14(17-15)10-7-8-10/h3-6,10H,2,7-9H2,1H3
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n/an/a>6.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87589
PNG
(2-(4,5-Dihydro-thiazol-2-ylsulfanyl)-N-(2-fluoro-p...)
Show SMILES Fc1ccccc1NC(=O)CSC1=NCCS1 |t:13|
Show InChI InChI=1S/C11H11FN2OS2/c12-8-3-1-2-4-9(8)14-10(15)7-17-11-13-5-6-16-11/h1-4H,5-7H2,(H,14,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87590
PNG
(MLS000073393 | N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-...)
Show SMILES CCN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O
Show InChI InChI=1S/C14H19N3O3S/c1-5-16(21(4,19)20)13-11(2)15(3)17(14(13)18)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87591
PNG
(2-(methylamino)-1-cyclohepta-2,4,6-trienethione | ...)
Show SMILES CNc1cccccc1=S
Show InChI InChI=1S/C8H9NS/c1-9-7-5-3-2-4-6-8(7)10/h2-6H,1H3,(H,9,10)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87592
PNG
(7-({[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-ylmethy...)
Show SMILES CCC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3OCOc3cc2[nH]c1=O
Show InChI InChI=1S/C23H26N6O4/c1-4-23(2,3)29-21(25-26-27-29)13-28(12-17-6-5-7-31-17)11-16-8-15-9-19-20(33-14-32-19)10-18(15)24-22(16)30/h5-10H,4,11-14H2,1-3H3,(H,24,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87593
PNG
(Furan-2-carboxylic acid [(5-chloro-2-methoxy-pheny...)
Show SMILES COc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H23ClN2O4/c1-26-17-10-9-14(21)12-16(17)22-19(24)13-23(15-6-3-2-4-7-15)20(25)18-8-5-11-27-18/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,22,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM40458
PNG
(3-[(2Z)-2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-y...)
Show SMILES OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C16H16N2O4S4/c1-2-8-18-14(19)13(25-16(18)23)15-17(9-5-10-26(20,21)22)11-6-3-4-7-12(11)24-15/h2-4,6-7H,1,5,8-10H2,(H,20,21,22)/b15-13-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87594
PNG
(2-(4-pyridyl)thiazolidine-4-carboxylic acid | 2-Py...)
Show SMILES OC(=O)C1CSC(N1)c1ccncc1
Show InChI InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-4,7-8,11H,5H2,(H,12,13)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87596
PNG
(4-(2-ethoxyphenyl)-2-oxidanylidene-6-prop-2-enylsu...)
Show SMILES CCOc1ccccc1C1C(C#N)C(=O)NC(SCC=C)=C1C#N |c:21|
Show InChI InChI=1S/C18H17N3O2S/c1-3-9-24-18-14(11-20)16(13(10-19)17(22)21-18)12-7-5-6-8-15(12)23-4-2/h3,5-8,13,16H,1,4,9H2,2H3,(H,21,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87597
PNG
((4-Chloro-phenyl)-thiomorpholin-4-yl-methanone | (...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCSCC1
Show InChI InChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87598
PNG
((3-Oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-acet...)
Show SMILES CCC(OC(=O)CC1Sc2ccccc2NC1=O)C(=O)NCC1CCCO1
Show InChI InChI=1S/C19H24N2O5S/c1-2-14(18(23)20-11-12-6-5-9-25-12)26-17(22)10-16-19(24)21-13-7-3-4-8-15(13)27-16/h3-4,7-8,12,14,16H,2,5-6,9-11H2,1H3,(H,20,23)(H,21,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87599
PNG
(1-(4-Methyl-piperidin-1-yl)-2-(4-pyridin-2-yl-4H-[...)
Show SMILES CC1CCN(CC1)C(=O)CSc1nncn1-c1ccccn1
Show InChI InChI=1S/C15H19N5OS/c1-12-5-8-19(9-6-12)14(21)10-22-15-18-17-11-20(15)13-4-2-3-7-16-13/h2-4,7,11-12H,5-6,8-10H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87058
PNG
(Lignan, 3 | MLS000034632 | N-tert-Butyl-N-(tert-bu...)
Show SMILES CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C22H35N3O2/c1-21(2,3)23-19(26)16-25(22(4,5)6)20(27)13-15-24-14-9-11-17-10-7-8-12-18(17)24/h7-8,10,12H,9,11,13-16H2,1-6H3,(H,23,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM48305
PNG
(4-Methyl-N-(4-oxo-4H-benzo[d][1,3]thiazin-2-yl)-be...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc2ccccc2c(=O)s1
Show InChI InChI=1S/C16H12N2O2S/c1-10-6-8-11(9-7-10)14(19)18-16-17-13-5-3-2-4-12(13)15(20)21-16/h2-9H,1H3,(H,17,18,19)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87601
PNG
(MLS000075106 | N-[5-(4-Chloro-phenoxymethyl)-[1,3,...)
Show SMILES CCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C13H14ClN3O3S/c1-2-19-7-11(18)15-13-17-16-12(21-13)8-20-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87602
PNG
((2-Amino-5-ethyl-thiophen-3-yl)-(2-methoxy-phenyl)...)
Show SMILES CCc1cc(C(=O)c2ccccc2OC)c(N)s1
Show InChI InChI=1S/C14H15NO2S/c1-3-9-8-11(14(15)18-9)13(16)10-6-4-5-7-12(10)17-2/h4-8H,3,15H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87603
PNG
(2-Methyl-benzothiazole-5-carboxylic acid | 2-methy...)
Show SMILES Cc1nc2cc(ccc2s1)C(O)=O
Show InChI InChI=1S/C9H7NO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4H,1H3,(H,11,12)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM70266
PNG
((3-Ethoxycarbonylmethylsulfanyl-5-oxo-2,5-dihydro-...)
Show SMILES CCOC(=O)CNc1nnc(SCC(=O)OCC)[nH]c1=O
Show InChI InChI=1S/C11H16N4O5S/c1-3-19-7(16)5-12-9-10(18)13-11(15-14-9)21-6-8(17)20-4-2/h3-6H2,1-2H3,(H,12,14)(H,13,15,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87604
PNG
(2-(3-Oxo-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazol-...)
Show SMILES Cc1ccc(NC(=O)CC2SC3=NCCN3C2=O)cc1 |t:11|
Show InChI InChI=1S/C14H15N3O2S/c1-9-2-4-10(5-3-9)16-12(18)8-11-13(19)17-7-6-15-14(17)20-11/h2-5,11H,6-8H2,1H3,(H,16,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87605
PNG
(1-(2-furanyl)-2-[2-imino-3-[2-(1-pyrrolidinyl)ethy...)
Show SMILES OC(Cn1c2ccccc2n(CCN2CCCC2)c1=N)c1ccco1
Show InChI InChI=1S/C19H24N4O2/c20-19-22(12-11-21-9-3-4-10-21)15-6-1-2-7-16(15)23(19)14-17(24)18-8-5-13-25-18/h1-2,5-8,13,17,20,24H,3-4,9-12,14H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM43344
PNG
(7-({Cyclopentyl-[1-(tetrahydro-furan-2-ylmethyl)-1...)
Show SMILES O=c1[nH]c2cc3OCOc3cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCC1
Show InChI InChI=1S/C23H28N6O4/c30-23-16(8-15-9-20-21(33-14-32-20)10-19(15)24-23)11-28(17-4-1-2-5-17)13-22-25-26-27-29(22)12-18-6-3-7-31-18/h8-10,17-18H,1-7,11-14H2,(H,24,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87606
PNG
(2-(6-Amino-4-oxo-1-m-tolyl-1,4-dihydro-pyrimidin-2...)
Show SMILES Cc1cc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)no1
Show InChI InChI=1S/C17H17N5O3S/c1-10-4-3-5-12(6-10)22-13(18)8-15(23)20-17(22)26-9-16(24)19-14-7-11(2)25-21-14/h3-8H,9,18H2,1-2H3,(H,19,21,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87065
PNG
(3HBA | 4-[4-(4-methylphenyl)sulfonyl-2-(3,4,5-trim...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c(o1)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H26N2O7S/c1-15-5-7-17(8-6-15)33(26,27)22-23(25-9-11-31-12-10-25)32-21(24-22)16-13-18(28-2)20(30-4)19(14-16)29-3/h5-8,13-14H,9-12H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87608
PNG
(MLS000072044 | N-(2-thiazolin-2-yl)thiophene-2-car...)
Show SMILES O=C(NC1=NCCS1)c1cccs1 |t:3|
Show InChI InChI=1S/C8H8N2OS2/c11-7(6-2-1-4-12-6)10-8-9-3-5-13-8/h1-2,4H,3,5H2,(H,9,10,11)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM87609
PNG
(2-(N-(3-benzyl-2,4-diketo-thiazolidin-5-yl)-4-meth...)
Show SMILES Cc1ccc(cc1)N(CC(N)=O)C1SC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C19H19N3O3S/c1-13-7-9-15(10-8-13)21(12-16(20)23)18-17(24)22(19(25)26-18)11-14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3,(H2,20,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM34223
PNG
(3-methyl-7-propan-2-yl-8-(prop-2-enylthio)purine-2...)
Show SMILES CC(C)n1c(SCC=C)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H16N4O2S/c1-5-6-19-12-13-9-8(16(12)7(2)3)10(17)14-11(18)15(9)4/h5,7H,1,6H2,2-4H3,(H,14,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM79795
PNG
((5Z)-3-ethyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2...)
Show SMILES CCN1C(C)=C(C)S\C1=C1/SC(=S)N(CC)C1=O |t:4|
Show InChI InChI=1S/C12H16N2OS3/c1-5-13-7(3)8(4)17-11(13)9-10(15)14(6-2)12(16)18-9/h5-6H2,1-4H3/b11-9-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM52077
PNG
(3-Amino-4-piperidin-1-yl-5,6,7,7a-tetrahydro-inden...)
Show SMILES N=C1C(C#N)C(C#N)(C#N)C2CCCC(N3CCCCC3)=C12 |t:21|
Show InChI InChI=1S/C17H19N5/c18-9-13-16(21)15-12(17(13,10-19)11-20)5-4-6-14(15)22-7-2-1-3-8-22/h12-13,21H,1-8H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
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