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Compile Data Set for Download or QSAR

Found 23 hits of ec50 data for polymerid = 4789   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM41600
PNG
(3-(3-nitrophenyl)-1-phenyl-2-propyn-1-one | 3-(3-n...)
Show SMILES [O-][N+](=O)c1cccc(c1)C#CC(=O)c1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19/h1-8,11H
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n/an/an/an/a 305n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM61536
PNG
(2-chloranyl-4,4-dimethyl-3-oxidanylidene-N-phenyl-...)
Show SMILES CC(C)(C)C(=O)C(Cl)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H16ClNO2/c1-13(2,3)11(16)10(14)12(17)15-9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,17)
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n/an/an/an/a 570n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM31063
PNG
(2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3
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n/an/an/an/a 653n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


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More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM66017
PNG
(2-chloranyl-N-(2,6-dimethylphenyl)-3-oxidanylidene...)
Show SMILES Cc1cccc(C)c1NC(=O)C(Cl)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16ClNO2/c1-11-7-6-8-12(2)15(11)19-17(21)14(18)16(20)13-9-4-3-5-10-13/h3-10,14H,1-2H3,(H,19,21)
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n/an/an/an/a 781n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


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More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM66026
PNG
(MLS000565529 | N-(4-methylphenyl)sulfonylbenzeneca...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=C(Sc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17NO2S2/c1-16-12-14-19(15-13-16)25(22,23)21-20(17-8-4-2-5-9-17)24-18-10-6-3-7-11-18/h2-15H,1H3
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n/an/an/an/a 822n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


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More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/an/an/a 872n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


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More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM43506
PNG
(3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulf...)
Show SMILES CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C16H15F3N2O4S/c1-2-25-14(22)8-9-26(23,24)15-20-12(11-6-4-3-5-7-11)10-13(21-15)16(17,18)19/h3-7,10H,2,8-9H2,1H3
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n/an/an/an/a 941n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


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More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM43513
PNG
(3-(4-Phenyl-6-trifluoromethyl-pyrimidine-2-sulfony...)
Show SMILES COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C15H13F3N2O4S/c1-24-13(21)7-8-25(22,23)14-19-11(10-5-3-2-4-6-10)9-12(20-14)15(16,17)18/h2-6,9H,7-8H2,1H3
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n/an/an/an/a 943n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM34183
PNG
(2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulf...)
Show SMILES CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C15H13F3N2O4S/c1-2-24-13(21)9-25(22,23)14-19-11(10-6-4-3-5-7-10)8-12(20-14)15(16,17)18/h3-8H,2,9H2,1H3
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n/an/an/an/a 1.38E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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n/an/an/an/a 1.94E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


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More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM65986
PNG
(2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-[4...)
Show SMILES Brc1cccc(c1)-c1cc(C(=O)OCC(=O)N2CCN(CC2)C(=O)c2ccco2)c2ccccc2n1
Show InChI InChI=1S/C27H22BrN3O5/c28-19-6-3-5-18(15-19)23-16-21(20-7-1-2-8-22(20)29-23)27(34)36-17-25(32)30-10-12-31(13-11-30)26(33)24-9-4-14-35-24/h1-9,14-16H,10-13,17H2
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n/an/an/an/a 2.81E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM65982
PNG
(2-phenyl-4-quinolinecarboxylic acid [2-[4-[2-furan...)
Show SMILES O=C(COC(=O)c1cc(nc2ccccc12)-c1ccccc1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C27H23N3O5/c31-25(29-12-14-30(15-13-29)26(32)24-11-6-16-34-24)18-35-27(33)21-17-23(19-7-2-1-3-8-19)28-22-10-5-4-9-20(21)22/h1-11,16-17H,12-15,18H2
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n/an/an/an/a 2.83E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM66027
PNG
((4-bromophenyl)-[4-(4-methoxy-2-nitro-phenyl)piper...)
Show SMILES COc1ccc(N2CCN(CC2)C(=O)c2ccc(Br)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H18BrN3O4/c1-26-15-6-7-16(17(12-15)22(24)25)20-8-10-21(11-9-20)18(23)13-2-4-14(19)5-3-13/h2-7,12H,8-11H2,1H3
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n/an/an/an/a 3.85E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


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More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM66024
PNG
((7-chloranylquinolin-4-yl) azepane-1-carboxylate |...)
Show SMILES Clc1ccc2c(OC(=O)N3CCCCCC3)ccnc2c1
Show InChI InChI=1S/C16H17ClN2O2/c17-12-5-6-13-14(11-12)18-8-7-15(13)21-16(20)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2
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n/an/an/an/a 3.86E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM66002
PNG
(4-({5-[(2,6-difluorophenoxy)methyl]isoxazol-3-yl}c...)
Show SMILES CN1CCN(CC1c1ccccc1)C(=O)c1cc(COc2c(F)cccc2F)on1
Show InChI InChI=1S/C22H21F2N3O3/c1-26-10-11-27(13-20(26)15-6-3-2-4-7-15)22(28)19-12-16(30-25-19)14-29-21-17(23)8-5-9-18(21)24/h2-9,12,20H,10-11,13-14H2,1H3
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n/an/an/an/a 3.89E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM34183
PNG
(2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulf...)
Show SMILES CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C15H13F3N2O4S/c1-2-24-13(21)9-25(22,23)14-19-11(10-6-4-3-5-7-10)8-12(20-14)15(16,17)18/h3-8H,2,9H2,1H3
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n/an/an/an/a 4.59E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM66025
PNG
(1-(2-furanylmethyl)-2-[(4-methyl-1-piperazinyl)met...)
Show SMILES CN1CCN(CC1)C=Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccco1)-c1ccccc1
Show InChI InChI=1S/C28H27N5O/c1-31-14-16-32(17-15-31)21-30-28-25(19-29)26(22-9-4-2-5-10-22)27(23-11-6-3-7-12-23)33(28)20-24-13-8-18-34-24/h2-13,18,21H,14-17,20H2,1H3
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n/an/an/an/a 4.61E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM41480
PNG
(1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluoroph...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Br)cc2)c(F)c1
Show InChI InChI=1S/C19H18BrFN2O2/c1-13(24)15-4-7-18(17(21)12-15)22-8-10-23(11-9-22)19(25)14-2-5-16(20)6-3-14/h2-7,12H,8-11H2,1H3
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n/an/an/an/a 6.92E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM66028
PNG
((7-chloranylquinolin-4-yl) N,N-diethylcarbamate | ...)
Show SMILES CCN(CC)C(=O)Oc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C14H15ClN2O2/c1-3-17(4-2)14(18)19-13-7-8-16-12-9-10(15)5-6-11(12)13/h5-9H,3-4H2,1-2H3
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n/an/an/an/a 7.22E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM66010
PNG
(4-N-(3-fluorophenyl)-2-N-methyl-5-nitropyrimidine-...)
Show SMILES CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O
Show InChI InChI=1S/C11H11FN6O2/c1-14-11-16-9(13)8(18(19)20)10(17-11)15-7-4-2-3-6(12)5-7/h2-5H,1H3,(H4,13,14,15,16,17)
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n/an/an/an/a 9.39E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM76252
PNG
((6-amino-5-nitro-pyrimidin-4-yl)-(3,5-dichlorophen...)
Show SMILES Nc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+]([O-])=O
Show InChI InChI=1S/C10H7Cl2N5O2/c11-5-1-6(12)3-7(2-5)16-10-8(17(18)19)9(13)14-4-15-10/h1-4H,(H3,13,14,15,16)
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n/an/an/an/a 7.64E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM58019
PNG
(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-...)
Show SMILES Cc1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C14H11N3O2S/c1-9-5-6-12(19-9)13(18)17-14-16-11(8-20-14)10-4-2-3-7-15-10/h2-8H,1H3,(H,16,17,18)
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n/an/an/an/a 7.75E+5n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM55139
PNG
((4Z)-4-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]m...)
Show SMILES Fc1ccc(cc1)-c1nn(cc1C=c1c(=C)[nH][nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C20H15FN4O/c1-13-18(20(26)23-22-13)11-15-12-25(17-5-3-2-4-6-17)24-19(15)14-7-9-16(21)10-8-14/h2-12,22H,1H2,(H,23,26)
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n/an/an/an/a 1.07E+6n/an/an/an/a



NMMLSC

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Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


Citation and Details
More data for this
Ligand-Target Pair