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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'MEP2'   
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
MEP2


(Saccharomyces cerevisiae)
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. ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM76301
PNG
(5,7-bis(bromanyl)quinolin-8-ol | 5,7-dibromo-8-qui...)
Show SMILES Oc1c(Br)cc(Br)c2cccnc12
Show InChI InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/an/an/a 1.13E+10n/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
MEP2


(Saccharomyces cerevisiae)
BDBM50864
PNG
(1-Butylamino-3-methyl-3H-naphtho[1,2,3-de]quinolin...)
Show SMILES CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
Show InChI InChI=1S/C21H20N2O2/c1-3-4-12-22-19-18-13-8-5-6-9-14(13)20(24)15-10-7-11-16(17(15)18)23(2)21(19)25/h5-11,22H,3-4,12H2,1-2H3
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n/an/an/an/a>3.30E+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 (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
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n/an/an/an/a 1.04E+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 (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM33111
PNG
(4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...)
Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl
Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3
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n/an/an/an/a 2.28E+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 (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM65993
PNG
(2-[1-[(E)-2-nitrovinyl]-2-naphthoxy]acetic acid et...)
Show SMILES CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
Show InChI InChI=1S/C16H15NO5/c1-2-21-16(18)11-22-15-8-7-12-5-3-4-6-13(12)14(15)9-10-17(19)20/h3-10H,2,11H2,1H3/b10-9+
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n/an/an/an/a 1.27E+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 (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM33150
PNG
(3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...)
Show SMILES Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)c(C)c1
Show InChI InChI=1S/C18H16O3/c1-12-7-8-14(13(2)11-12)9-10-16(19)15-5-3-4-6-17(20)18(15)21/h3-11H,1-2H3,(H,20,21)/b10-9+
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n/an/an/an/a 1.37E+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 (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM66003
PNG
((5E)-1-(4-fluorobenzyl)-5-(2-thenylidene)barbituri...)
Show SMILES Fc1ccc(CN2C(=O)NC(=O)\C(=C/c3cccs3)C2=O)cc1
Show InChI InChI=1S/C16H11FN2O3S/c17-11-5-3-10(4-6-11)9-19-15(21)13(14(20)18-16(19)22)8-12-2-1-7-23-12/h1-8H,9H2,(H,18,20,22)/b13-8+
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n/an/an/an/a 3.01E+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 (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM57870
PNG
((2Z)-1-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H23N2S2/c1-4-25-18(8-7-17-14-16(3)6-9-20(17)25)15-23-26(5-2)24-19-12-13-27-21(19)10-11-22(24)28-23/h6-15H,4-5H2,1-3H3/q+1
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n/an/an/an/a>3.30E+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 (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
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 6.85E+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. ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM66018
PNG
(5-[[5-(4-chlorophenyl)-2-furanyl]methylidene]-1,3-...)
Show SMILES Clc1ccc(cc1)-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1
Show InChI InChI=1S/C15H9ClN2O4/c16-9-3-1-8(2-4-9)12-6-5-10(22-12)7-11-13(19)17-15(21)18-14(11)20/h1-7H,(H2,17,18,19,20,21)
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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. ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM66023
PNG
(2-octyl-1,2-thiazol-3-one | 2-octyl-3-isothiazolon...)
Show SMILES CCCCCCCCn1sccc1=O
Show InChI InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
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n/an/an/an/a 1.23E+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 (2010)

More data for this
Ligand-Target Pair
MEP2


(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 6.82E+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
MEP2


(Saccharomyces cerevisiae)
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 7.44E+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
MEP2


(Saccharomyces cerevisiae)
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 4.03E+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
MEP2


(Saccharomyces cerevisiae)
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/an/an/a 3.61E+7n/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
MEP2


(Saccharomyces cerevisiae)
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/an/an/a 3.37E+8n/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
MEP2


(Saccharomyces cerevisiae)
BDBM61009
PNG
((1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetra...)
Show SMILES C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21
Show InChI InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1
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CHEMBL
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n/an/an/an/a 1.26E+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 (2010)

More data for this
Ligand-Target Pair