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PubChem AID 2745

Compile Data Set for Download or QSAR

Found 205 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
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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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)		BDBM31081
PNG
(7-(hydroxymethyl)-2-(4-phenylphenyl)-4,7a-dihydro-...)
Show SMILES [H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7|
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,16,23-25H,12H2
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n/an/an/an/a 1.53E+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)		BDBM49381
PNG
((3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-...)
Show SMILES Cc1cccnc1Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C14H12N4S/c1-10-5-4-8-16-13(10)18-14-17-12(9-19-14)11-6-2-3-7-15-11/h2-9H,1H3,(H,16,17,18)
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n/an/an/an/a 3.70E+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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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)		BDBM66045
PNG
((2E)-2-(1-nitrosodecylidene)-1H-pyridine | 1-Pyrid...)
Show SMILES CCCCCCCCCC(N=O)c1ccccn1
Show InChI InChI=1S/C15H24N2O/c1-2-3-4-5-6-7-8-12-15(17-18)14-11-9-10-13-16-14/h9-11,13,15H,2-8,12H2,1H3
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n/an/an/an/a 6.13E+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)		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)		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)		BDBM32849
PNG
((1,3-dioxoisoindol-2-yl) 2,3,5,6-tetramethylbenzen...)
Show SMILES Cc1cc(C)c(C)c(c1C)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H17NO5S/c1-10-9-11(2)13(4)16(12(10)3)25(22,23)24-19-17(20)14-7-5-6-8-15(14)18(19)21/h5-9H,1-4H3
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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)		BDBM56565
PNG
((cyclopentylideneamino) N-(4-methylphenyl)carbamat...)
Show SMILES [#6]-c1ccc(-[#7]-[#6](=O)-[#8]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C13H16N2O2/c1-10-6-8-11(9-7-10)14-13(16)17-15-12-4-2-3-5-12/h6-9H,2-5H2,1H3,(H,14,16)
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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)		BDBM48083
PNG
((5E)-5-(o-tolylhydrazono)quinolin-8-one | (5E)-5-[...)
Show SMILES Cc1ccccc1N=Nc1ccc(O)c2ncccc12 |w:7.7|
Show InChI InChI=1S/C16H13N3O/c1-11-5-2-3-7-13(11)18-19-14-8-9-15(20)16-12(14)6-4-10-17-16/h2-10,20H,1H3
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n/an/an/an/a 7.96E+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)		BDBM65996
PNG
((6E)-4-nitro-6-[(2-pyridin-2-ylhydrazinyl)methylid...)
Show SMILES [O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2ccccn2)c1 |w:10.9|
Show InChI InChI=1S/C12H9N4O3/c17-11-5-4-10(16(18)19)7-9(11)8-14-15-12-3-1-2-6-13-12/h1-7H,8H2/q-1/p+1
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n/an/an/an/a 1.25E+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)		BDBM50301
PNG
((5E)-1-(2-furanylmethyl)-5-[[5-(3-nitrophenyl)-2-f...)
Show SMILES [O-]c1[nH]c(=O)n(Cc2ccco2)c(=O)c1[CH+]c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H13N3O7/c24-18-16(19(25)22(20(26)21-18)11-15-5-2-8-29-15)10-14-6-7-17(30-14)12-3-1-4-13(9-12)23(27)28/h1-10H,11H2,(H-,21,24,25,26)
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n/an/an/an/a 6.36E+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)		BDBM66056
PNG
((E)-3-(4-chloranyl-3-nitro-phenyl)-1-pyridin-3-yl-...)
Show SMILES [O-][N+](=O)c1cc(\C=C\C(=O)c2cccnc2)ccc1Cl
Show InChI InChI=1S/C14H9ClN2O3/c15-12-5-3-10(8-13(12)17(19)20)4-6-14(18)11-2-1-7-16-9-11/h1-9H/b6-4+
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n/an/an/an/a 2.86E+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)		BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
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n/an/an/an/a 4.89E+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. ...

PubChem Bioassay (2010)


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


(Saccharomyces cerevisiae)		BDBM66059
PNG
(4-fluoranyl-N-[(pyrazin-2-ylcarbonylamino)carbamot...)
Show SMILES Fc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
Show InChI InChI=1S/C13H10FN5O2S/c14-9-3-1-8(2-4-9)11(20)17-13(22)19-18-12(21)10-7-15-5-6-16-10/h1-7H,(H,18,21)(H2,17,19,20,22)
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n/an/an/an/a 7.94E+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. ...

PubChem Bioassay (2010)


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


(Saccharomyces cerevisiae)		BDBM54743
PNG
(1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione | 1-(4...)
Show SMILES O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1 |c:2|
Show InChI InChI=1S/C15H16N2O2/c18-14-8-9-15(19)17(14)13-6-4-12(5-7-13)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2
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n/an/an/an/a 1.24E+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)		BDBM66009
PNG
((E)-1-(5-Chloro-2-hydroxy-phenyl)-3-(5-chloro-1-me...)
Show SMILES Cn1c(Cl)cnc1\C=C\C(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H10Cl2N2O2/c1-17-12(15)7-16-13(17)5-4-11(19)9-6-8(14)2-3-10(9)18/h2-7,18H,1H3/b5-4+
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n/an/an/an/a 1.31E+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)		BDBM48098
PNG
((5E)-5-[(4-methoxyphenyl)hydrazinylidene]-8-quinol...)
Show SMILES COc1ccc(cc1)N=Nc1ccc(O)c2ncccc12 |w:8.8|
Show InChI InChI=1S/C16H13N3O2/c1-21-12-6-4-11(5-7-12)18-19-14-8-9-15(20)16-13(14)3-2-10-17-16/h2-10,20H,1H3
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n/an/an/an/a 6.43E+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)		BDBM50645
PNG
(2-[(2-amino-5-methoxy-3-nitrophenyl)disulfanyl]-4-...)
Show SMILES COc1cc(SSc2cc(OC)cc(c2N)[N+]([O-])=O)c(N)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H14N4O6S2/c1-23-7-3-9(17(19)20)13(15)11(5-7)25-26-12-6-8(24-2)4-10(14(12)16)18(21)22/h3-6H,15-16H2,1-2H3
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n/an/an/an/a 8.26E+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)


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


(Saccharomyces cerevisiae)		BDBM11297
PNG
(4,6-dimethyl-2-[(4-methylbenzene)sulfonyl]-5-nitro...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(C)c(c(C)c1C#N)[N+]([O-])=O
Show InChI InChI=1S/C15H13N3O4S/c1-9-4-6-12(7-5-9)23(21,22)15-13(8-16)10(2)14(18(19)20)11(3)17-15/h4-7H,1-3H3
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n/an/an/an/a 4.17E+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)		BDBM66072
PNG
(4-tert-butyl-N'-(1-pyridin-2-ylethylidene)benz...)
Show SMILES CC(=NNC(=O)c1ccc(cc1)C(C)(C)C)c1ccccn1 |w:2.2|
Show InChI InChI=1S/C18H21N3O/c1-13(16-7-5-6-12-19-16)20-21-17(22)14-8-10-15(11-9-14)18(2,3)4/h5-12H,1-4H3,(H,21,22)
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n/an/an/an/a 3.27E+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)


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


(Saccharomyces cerevisiae)		BDBM58380
PNG
(6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-...)
Show SMILES Clc1ccc(SCc2cc(=O)[nH]c(n2)-c2ccccn2)cc1
Show InChI InChI=1S/C16H12ClN3OS/c17-11-4-6-13(7-5-11)22-10-12-9-15(21)20-16(19-12)14-3-1-2-8-18-14/h1-9H,10H2,(H,19,20,21)
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n/an/an/an/a 6.28E+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)


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


(Saccharomyces cerevisiae)		BDBM60282
PNG
(3-hydroxy-N-(1-pyridin-2-ylethylideneamino)naphtha...)
Show SMILES CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccccn1 |w:2.2|
Show InChI InChI=1S/C18H15N3O2/c1-12(16-8-4-5-9-19-16)20-21-18(23)15-10-13-6-2-3-7-14(13)11-17(15)22/h2-11,22H,1H3,(H,21,23)
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n/an/an/an/a 3.98E+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)		BDBM66018
PNG
(5-[[5-(4-chlorophenyl)-2-furanyl]methylidene]-1,3-...)
Show SMILES Clc1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=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 1.41E+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)		BDBM59078
PNG
((E)-4-(9,10-dihydrophenanthren-2-yl)-4-keto-but-2-...)
Show SMILES OC(=O)\C=C\C(=O)c1ccc-2c(CCc3ccccc-23)c1
Show InChI InChI=1S/C18H14O3/c19-17(9-10-18(20)21)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-4,7-11H,5-6H2,(H,20,21)/b10-9+
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n/an/an/an/a 1.20E+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)		BDBM66087
PNG
(2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-p...)
Show SMILES Cc1cc(C2CCCCC2)n(O)c(=O)c1
Show InChI InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
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n/an/an/an/a 5.34E+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)		BDBM66088
PNG
(4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-y...)
Show SMILES CCc1cc(sc1C)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C16H15N3OS2/c1-3-11-8-14(22-10(11)2)15(20)19-16-18-13(9-21-16)12-6-4-5-7-17-12/h4-9H,3H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 5.96E+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)		BDBM66089
PNG
(3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-ben...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C18H13N3O2S/c1-11-12-6-2-3-8-15(12)23-16(11)17(22)21-18-20-14(10-24-18)13-7-4-5-9-19-13/h2-10H,1H3,(H,20,21,22)
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n/an/an/an/a 4.01E+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)


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


(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 912n/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)		BDBM46002
PNG
((6-methyl-2-pyridyl)-[4-(2-pyridyl)thiazol-2-yl]am...)
Show SMILES Cc1cccc(Nc2nc(cs2)-c2ccccn2)n1
Show InChI InChI=1S/C14H12N4S/c1-10-5-4-7-13(16-10)18-14-17-12(9-19-14)11-6-2-3-8-15-11/h2-9H,1H3,(H,16,17,18)
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n/an/an/an/a 3.79E+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)		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)		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)		BDBM62224
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluo...)
Show SMILES Fc1cccc(F)c1C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H6Br2F2N2O3/c13-6-4-17-18(11(19)10(6)14)5-21-12(20)9-7(15)2-1-3-8(9)16/h1-4H,5H2
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n/an/an/an/a 1.69E+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)		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)		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)		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)		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 1.15E+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)		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)		BDBM65991
PNG
((cyclopentylideneamino) N-(4-chlorophenyl)carbamat...)
Show SMILES Clc1ccc(-[#7]-[#6](=O)-[#8]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C12H13ClN2O2/c13-9-5-7-10(8-6-9)14-12(16)17-15-11-3-1-2-4-11/h5-8H,1-4H2,(H,14,16)
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n/an/an/an/a 3.95E+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)		BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
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UniProtKB/SwissProt

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n/an/an/an/a 2.70E+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)		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 4.15E+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)		BDBM65393
PNG
(4-chloranyl-8-methyl-[1,2,3,4]tetrazolo[1,5-a]quin...)
Show SMILES Cc1ccc2nc(Cl)c3nnnn3c2c1
Show InChI InChI=1S/C9H6ClN5/c1-5-2-3-6-7(4-5)15-9(8(10)11-6)12-13-14-15/h2-4H,1H3
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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)		BDBM50704
PNG
(5-[1-(3-Chloro-propyl)-2,3-dihydro-1H-indol-5-ylme...)
Show SMILES Cl[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)ccc-12
Show InChI InChI=1S/C16H16ClN3O2S/c17-5-1-6-20-7-4-11-8-10(2-3-13(11)20)9-12-14(21)18-16(23)19-15(12)22/h2-3,8-9H,1,4-7H2,(H2,18,19,21,22,23)
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n/an/an/an/a 4.06E+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)		BDBM47478
PNG
(2-(4-chlorophenyl)sulfonyl-6-methoxy-3-nitro-pyrid...)
Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H9ClN2O5S/c1-20-11-7-6-10(15(16)17)12(14-11)21(18,19)9-4-2-8(13)3-5-9/h2-7H,1H3
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MCE
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n/an/an/an/a 1.99E+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)		BDBM11296
PNG
(2-(benzenesulfonyl)-4,6-dimethyl-5-nitropyridine-3...)
Show SMILES Cc1nc(c(C#N)c(C)c1[N+]([O-])=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c1-9-12(8-15)14(16-10(2)13(9)17(18)19)22(20,21)11-6-4-3-5-7-11/h3-7H,1-2H3
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n/an/an/an/a 6.31E+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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* indicates data uncertainty>20%