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Compile Data Set for Download or QSAR

Found 214 hits Enz. Inhib. hit(s) with Target = 'Vacuolar aminopeptidase 1'   
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
Vacuolar aminopeptidase 1


(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 986n/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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66035
PNG
(5,7-DIIODO-8-HYDROXYQUINOLINE | 5,7-bis(iodanyl)qu...)
Show SMILES Oc1c(I)cc(I)c2cccnc12
Show InChI InChI=1S/C9H5I2NO/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 700n/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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM32767
PNG
(4-[(5-acetoxy-2-phenyl-oxazol-4-yl)methyleneamino]...)
Show SMILES CCOC(=O)c1ccc(cc1)\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
Show InChI InChI=1S/C21H18N2O5/c1-3-26-20(25)16-9-11-17(12-10-16)22-13-18-21(27-14(2)24)28-19(23-18)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b22-13+
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n/an/an/an/a 2.60E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM38921
PNG
(MLS000056851 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2ccccn2)s1
Show InChI InChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15)
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n/an/an/an/a 3.03E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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n/an/an/an/a 3.90E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66037
PNG
((5Z)-5-(1-naphthylmethylene)[1,3]thiazolo[3,2-b][1...)
Show SMILES O=c1n2ncnc2sc1=Cc1cccc2ccccc12
Show InChI InChI=1S/C15H9N3OS/c19-14-13(20-15-16-9-17-18(14)15)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H
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n/an/an/an/a 9.22E+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. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM38993
PNG
((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Show SMILES CCCCS(=O)(=O)\C=C/C=C\S(=O)(=O)CCCC
Show InChI InChI=1S/C12H22O4S2/c1-3-5-9-17(13,14)11-7-8-12-18(15,16)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b11-7-,12-8-
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n/an/an/an/a 2.54E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
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 3.05E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM37114
PNG
(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Show SMILES O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc12 |t:3|
Show InChI InChI=1S/C15H9NO2S3/c17-21(18)9-13(10-5-1-4-8-14(10)21)20-15-16-11-6-2-3-7-12(11)19-15/h1-9H
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n/an/an/an/a 3.29E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
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>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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66039
PNG
(MLS000103320 | N-[5-(4-chlorophenyl)-1,3,4-oxadiaz...)
Show SMILES COc1cccc(c1)C(=O)Nc1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O3/c1-22-13-4-2-3-11(9-13)14(21)18-16-20-19-15(23-16)10-5-7-12(17)8-6-10/h2-9H,1H3,(H,18,20,21)
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n/an/an/an/a 3.84E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66040
PNG
(4-[3-(2-methoxyphenoxy)propyl]-3,5-dimethyl-1H-pyr...)
Show SMILES COc1ccccc1OCCCc1c(C)n[nH]c1C
Show InChI InChI=1S/C15H20N2O2/c1-11-13(12(2)17-16-11)7-6-10-19-15-9-5-4-8-14(15)18-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,17)
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n/an/an/an/a 2.02E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
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 9.91E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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n/an/an/an/a 607n/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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(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 |c:9|
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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n/an/an/an/a 865n/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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(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 1.18E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM64560
PNG
((5,7-dichloroquinolin-8-yl) furan-2-carboxylate | ...)
Show SMILES Clc1cc(Cl)c2cccnc2c1OC(=O)c1ccco1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-7-10(16)13(12-8(9)3-1-5-17-12)20-14(18)11-4-2-6-19-11/h1-7H
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n/an/an/an/a 2.46E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM41585
PNG
((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Show SMILES CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
Show InChI InChI=1S/C15H16N4O3/c1-15(2,3)14(20)13(18-10-16-9-17-18)8-11-5-4-6-12(7-11)19(21)22/h4-10H,1-3H3/b13-8+
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n/an/an/an/a 6.82E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM65005
PNG
(2,4-bis(chloranyl)-N-[(2-phenoxyethanoylamino)carb...)
Show SMILES Clc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C16H13Cl2N3O3S/c17-10-6-7-12(13(18)8-10)15(23)19-16(25)21-20-14(22)9-24-11-4-2-1-3-5-11/h1-8H,9H2,(H,20,22)(H2,19,21,23,25)
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n/an/an/an/a 1.78E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM34672
PNG
((4-chlorodithiazol-5-ylidene)-(4-chlorophenyl)amin...)
Show SMILES Clc1nss\c1=N\c1ccc(Cl)cc1
Show InChI InChI=1S/C8H4Cl2N2S2/c9-5-1-3-6(4-2-5)11-8-7(10)12-14-13-8/h1-4H/b11-8+
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n/an/an/an/a 1.93E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66041
PNG
(4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy...)
Show SMILES COc1ccc(cc1)C(C(C#N)C#N)c1c(C)[nH]n(C(N)=S)c1=O
Show InChI InChI=1S/C16H15N5O2S/c1-9-13(15(22)21(20-9)16(19)24)14(11(7-17)8-18)10-3-5-12(23-2)6-4-10/h3-6,11,14,20H,1-2H3,(H2,19,24)
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n/an/an/an/a 2.09E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66042
PNG
(3-[(4Z)-4-(2-bromo-4-isopropoxy-5-methoxy-benzylid...)
Show SMILES COc1cc(C=c2c(=C)[nH]n(CCC#N)c2=O)c(Br)cc1OC(C)C |w:5.4|
Show InChI InChI=1S/C18H20BrN3O3/c1-11(2)25-17-10-15(19)13(9-16(17)24-4)8-14-12(3)21-22(18(14)23)7-5-6-20/h8-11,21H,3,5,7H2,1-2,4H3/b14-8-
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n/an/an/an/a 4.16E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM41593
PNG
((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...)
Show SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1 |w:11.11|
Show InChI InChI=1S/C16H14Cl2N2O3S/c1-23-13-8-7-12(9-19-13)20-16(21)14(17)15(18)24(22)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)
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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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM47164
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobe...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H7Br2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
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n/an/an/an/a 1.91E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM43596
PNG
((3Z)-3-[2-keto-2-(2-thienyl)ethylidene]-7-methyl-o...)
Show SMILES Cc1cccc2\C(=C\C(=O)c3cccs3)C(=O)Nc12
Show InChI InChI=1S/C15H11NO2S/c1-9-4-2-5-10-11(15(18)16-14(9)10)8-12(17)13-6-3-7-19-13/h2-8H,1H3,(H,16,18)/b11-8-
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n/an/an/an/a 5.59E+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. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
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n/an/an/an/a 1.62E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM44877
PNG
(2-Cyano-2-[(2,4-dimethyl-phenyl)-hydrazono]-thioac...)
Show SMILES Cc1ccc(NN=C(C#N)C(N)=S)c(C)c1 |w:6.5|
Show InChI InChI=1S/C11H12N4S/c1-7-3-4-9(8(2)5-7)14-15-10(6-12)11(13)16/h3-5,14H,1-2H3,(H2,13,16)
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n/an/an/an/a 1.17E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM65984
PNG
(MLS000534613 | N'-(benzoyloxy)-2-(4-chlorophen...)
Show SMILES NC(Cc1ccc(Cl)cc1)=NOC(=O)c1ccccc1 |w:10.11|
Show InChI InChI=1S/C15H13ClN2O2/c16-13-8-6-11(7-9-13)10-14(17)18-20-15(19)12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,18)
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n/an/an/an/a 4.40E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM43210
PNG
(1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(3-n...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(18)19/h1-8,11H
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n/an/an/an/a 7.75E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM64576
PNG
((3Z)-5-ethyl-3-(2-oxidanylidene-2-thiophen-2-yl-et...)
Show SMILES CCc1ccc2NC(=O)\C(=C/C(=O)c3cccs3)c2c1
Show InChI InChI=1S/C16H13NO2S/c1-2-10-5-6-13-11(8-10)12(16(19)17-13)9-14(18)15-4-3-7-20-15/h3-9H,2H2,1H3,(H,17,19)/b12-9-
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n/an/an/an/a 4.07E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66043
PNG
(2-hydroxy-3-[(E)-3-(2-hydroxy-3-methoxy-phenyl)acr...)
Show SMILES COc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1O |w:7.6|
Show InChI InChI=1S/C16H14O6/c1-9-8-12(18)14(16(20)22-9)11(17)7-6-10-4-3-5-13(21-2)15(10)19/h3-8,18-19H,1-2H3
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n/an/an/an/a 4.42E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66044
PNG
(4-[1-(hydroxymethyl)-3,5-dioxo-10-oxa-4-azatricycl...)
Show SMILES [H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccc(OC(C)=O)cc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7|
Show InChI InChI=1S/C17H15NO6/c1-9(20)23-11-4-2-10(3-5-11)18-15(21)13-12-6-7-17(8-19,24-12)14(13)16(18)22/h2-7,12,19,21-22H,8H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50895
PNG
((4Z)-4-[[5-(2,5-dichlorophenyl)-2-furanyl]methylid...)
Show SMILES CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl |t:1|
Show InChI InChI=1S/C15H9Cl2NO3/c1-8-11(15(19)21-18-8)7-10-3-5-14(20-10)12-6-9(16)2-4-13(12)17/h2-7H,1H3/b11-7-
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n/an/an/an/a 2.68E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM33476
PNG
(4-Methyl-benzoic acid 4-{[(E)-4-chloro-phenylimino...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1oc(nc1\C=N\c1ccc(Cl)cc1)-c1ccco1
Show InChI InChI=1S/C22H15ClN2O4/c1-14-4-6-15(7-5-14)21(26)29-22-18(13-24-17-10-8-16(23)9-11-17)25-20(28-22)19-3-2-12-27-19/h2-13H,1H3/b24-13+
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n/an/an/an/a 3.60E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM42045
PNG
(MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...)
Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3
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n/an/an/an/a 1.07E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66029
PNG
(1-naphthalenecarboxylic acid [(Z)-[1-amino-2-(4-ch...)
Show SMILES NC(Cc1ccc(Cl)cc1)=NOC(=O)c1cccc2ccccc12 |w:10.11|
Show InChI InChI=1S/C19H15ClN2O2/c20-15-10-8-13(9-11-15)12-18(21)22-24-19(23)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H2,21,22)
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n/an/an/an/a 1.88E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM65052
PNG
(3,4-dihydro-2H-quinolin-1-yl-[5-(3,4-dihydro-2H-qu...)
Show SMILES O=C(N1CCCc2ccccc12)c1ccc(s1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c27-23(25-15-5-9-17-7-1-3-11-19(17)25)21-13-14-22(29-21)24(28)26-16-6-10-18-8-2-4-12-20(18)26/h1-4,7-8,11-14H,5-6,9-10,15-16H2
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n/an/an/an/a 7.77E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66046
PNG
((3,5-dichloro-2-pyridyl)-[(5-methyl-2-thienyl)meth...)
Show SMILES Cc1ccc(CN=Nc2ncc(Cl)cc2Cl)s1 |w:7.7|
Show InChI InChI=1S/C11H9Cl2N3S/c1-7-2-3-9(17-7)6-15-16-11-10(13)4-8(12)5-14-11/h2-5H,6H2,1H3
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n/an/an/an/a 3.17E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM32830
PNG
(2-phenoxy-N-[(p-toluoylamino)thiocarbamoyl]acetami...)
Show SMILES Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)COc1ccccc1
Show InChI InChI=1S/C17H17N3O3S/c1-12-7-9-13(10-8-12)16(22)19-20-17(24)18-15(21)11-23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,22)(H2,18,20,21,24)
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n/an/an/an/a 8.27E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66048
PNG
(2-[[(5E)-5-(4-chlorobenzylidene)-4-keto-2-thiazoli...)
Show SMILES CCOC(=O)CSC1=NC(=O)\C(S1)=C/c1ccc(Cl)cc1 |t:7|
Show InChI InChI=1S/C14H12ClNO3S2/c1-2-19-12(17)8-20-14-16-13(18)11(21-14)7-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3/b11-7+
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n/an/an/an/a 2.70E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM44504
PNG
(2-chloro-5-[5-[(E)-(5-cyano-2,6-diketo-4-methyl-3-...)
Show SMILES CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(=O)NC(=O)C(C#N)=C2C)o1 |c:26|
Show InChI InChI=1S/C21H15ClN2O5/c1-3-28-21(27)15-8-12(4-6-17(15)22)18-7-5-13(29-18)9-14-11(2)16(10-23)20(26)24-19(14)25/h4-9H,3H2,1-2H3,(H,24,25,26)/b14-9+
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n/an/an/an/a 1.36E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/an/an/a 4.82E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM65988
PNG
(1-(tert-butyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-...)
Show SMILES CC(C)(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16FN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/an/an/a 3.51E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66049
PNG
(3-(2,6-Dinitro-4-trifluoromethyl-phenoxy)-7,8,9,10...)
Show SMILES [O-][N+](=O)c1cc(cc(c1Oc1ccc2c3CCCCc3c(=O)oc2c1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C20H13F3N2O7/c21-20(22,23)10-7-15(24(27)28)18(16(8-10)25(29)30)31-11-5-6-13-12-3-1-2-4-14(12)19(26)32-17(13)9-11/h5-9H,1-4H2
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n/an/an/an/a 3.04E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM65989
PNG
(2-thiophenecarboxylic acid [(Z)-[1-amino-2-(2,4-di...)
Show SMILES Clc1ccc(CC(=N)NOC(=O)c2cccs2)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N2O2S/c14-9-4-3-8(10(15)7-9)6-12(16)17-19-13(18)11-2-1-5-20-11/h1-5,7H,6H2,(H2,16,17)
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n/an/an/an/a 4.48E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM59904
PNG
(MLS000324700 | N-[(3-phenylpropanoylamino)carbamot...)
Show SMILES O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C17H17N3O2S/c21-15(12-11-13-7-3-1-4-8-13)19-20-17(23)18-16(22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21)(H2,18,20,22,23)
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n/an/an/an/a 3.22E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM62227
PNG
(5-(4-chlorophenyl)sulfonyl-N-phenyl-1,2,3-thiadiaz...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H10ClN3O3S2/c16-10-6-8-12(9-7-10)24(21,22)15-13(18-19-23-15)14(20)17-11-4-2-1-3-5-11/h1-9H,(H,17,20)
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n/an/an/an/a 564n/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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66050
PNG
((Z)-3-(1H-indol-3-yl)-2-nitro-2-propenoic acid met...)
Show SMILES COC(=O)C(=C\c1c[nH]c2ccccc12)\[N+]([O-])=O
Show InChI InChI=1S/C12H10N2O4/c1-18-12(15)11(14(16)17)6-8-7-13-10-5-3-2-4-9(8)10/h2-7,13H,1H3/b11-6-
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n/an/an/an/a 2.07E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66051
PNG
(3-[2,5-bis(oxidanylidene)pyrrol-1-yl]-4-chloranyl-...)
Show SMILES Cc1ccc(NC(=O)c2ccc(Cl)c(c2)N2C(=O)C=CC2=O)cc1 |c:19|
Show InChI InChI=1S/C18H13ClN2O3/c1-11-2-5-13(6-3-11)20-18(24)12-4-7-14(19)15(10-12)21-16(22)8-9-17(21)23/h2-10H,1H3,(H,20,24)
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n/an/an/an/a 1.59E+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. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM64608
PNG
(2-(3,4-dichlorophenyl)-N'-[(2-thienylcarbonyl)...)
Show SMILES Clc1ccc(CC(=N)NOC(=O)c2cccs2)cc1Cl
Show InChI InChI=1S/C13H10Cl2N2O2S/c14-9-4-3-8(6-10(9)15)7-12(16)17-19-13(18)11-2-1-5-20-11/h1-6H,7H2,(H2,16,17)
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n/an/an/an/a 5.05E+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)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
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