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PubChem AID 488823

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LAP4


(Saccharomyces cerevisiae)
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 4.12E+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. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM69506
PNG
(2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimi...)
Show SMILES CCC(C)Nc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H20N6O3/c1-4-9(2)17-15-19-13(16)12(21(22)23)14(20-15)18-10-7-5-6-8-11(10)24-3/h5-9H,4H2,1-3H3,(H4,16,17,18,19,20)
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n/an/an/an/a 3.59E+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. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM66090
PNG
(5-ethyl-4-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-y...)
Show SMILES CCc1sc(cc1C)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C16H15N3OS2/c1-3-13-10(2)8-14(22-13)15(20)19-16-18-12(9-21-16)11-6-4-5-7-17-11/h4-9H,3H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 1.05E+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. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM76305
PNG
(5-chloranylquinolin-8-ol | 5-chloro-8-quinolinol |...)
Show SMILES Oc1ccc(Cl)c2cccnc12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
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n/an/an/an/a 2.08E+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. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM76304
PNG
(8-hydroxy-4-quinolinecarboxamide;2,2,2-trifluoroac...)
Show SMILES NC(=O)c1ccnc2c(O)cccc12
Show InChI InChI=1S/C10H8N2O2/c11-10(14)7-4-5-12-9-6(7)2-1-3-8(9)13/h1-5,13H,(H2,11,14)
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n/an/an/an/a 3.54E+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. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM32777
PNG
(1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrol...)
Show SMILES Cn1cccc1C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C14H12N4OS/c1-18-8-4-6-12(18)13(19)17-14-16-11(9-20-14)10-5-2-3-7-15-10/h2-9H,1H3,(H,16,17,19)
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n/an/an/an/a 7.96E+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. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM76303
PNG
(4-chloranyl-3-(2-chloroethyl)-8-methoxy-2-methyl-q...)
Show SMILES COc1cccc2c(Cl)c(CCCl)c(C)nc12
Show InChI InChI=1S/C13H13Cl2NO/c1-8-9(6-7-14)12(15)10-4-3-5-11(17-2)13(10)16-8/h3-5H,6-7H2,1-2H3
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n/an/an/an/a 8.64E+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. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM58072
PNG
(2-N-butan-2-yl-4-N-(2,5-dimethoxyphenyl)-5-nitropy...)
Show SMILES CCC(C)Nc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C16H22N6O4/c1-5-9(2)18-16-20-14(17)13(22(23)24)15(21-16)19-11-8-10(25-3)6-7-12(11)26-4/h6-9H,5H2,1-4H3,(H4,17,18,19,20,21)
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n/an/an/an/a 3.73E+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. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM76302
PNG
(5,7-bis(chloranyl)-2-methyl-quinolin-8-ol | 5,7-di...)
Show SMILES Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
Show InChI InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
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n/an/an/an/a 5.39E+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. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%