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PubChem AID 1220

Compile Data Set for Download or QSAR

Found 462 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
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34903
PNG
((2E)-2-(p-anisidinomethylene)tetralin-1-one | (2E)...)
Show SMILES COc1ccc(NC=C2CCc3ccccc3C2=O)cc1 |w:7.6|
Show InChI InChI=1S/C18H17NO2/c1-21-16-10-8-15(9-11-16)19-12-14-7-6-13-4-2-3-5-17(13)18(14)20/h2-5,8-12,19H,6-7H2,1H3
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n/an/a<391n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a<391n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34641
PNG
((2E)-2-[(1,3-benzodioxol-5-ylamino)methylene]tetra...)
Show SMILES O=C1C(CCc2ccccc12)=CNc1ccc2OCOc2c1 |w:11.13|
Show InChI InChI=1S/C18H15NO3/c20-18-13(6-5-12-3-1-2-4-15(12)18)10-19-14-7-8-16-17(9-14)22-11-21-16/h1-4,7-10,19H,5-6,11H2
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n/an/a 829n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34932
PNG
(1-ethyl-5-methyl-4-[(phenylsulfonyl)methyl]-1,3-di...)
Show SMILES CCn1c(C)c(CS(=O)(=O)c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C13H16N2O3S/c1-3-15-10(2)12(14-13(15)16)9-19(17,18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,16)
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n/an/a 1.23E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM32096
PNG
((6-phenyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothia...)
Show SMILES Nc1nc-2c(CCc3c-2cnn3-c2ccccc2)s1
Show InChI InChI=1S/C14H12N4S/c15-14-17-13-10-8-16-18(9-4-2-1-3-5-9)11(10)6-7-12(13)19-14/h1-5,8H,6-7H2,(H2,15,17)
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n/an/a 1.42E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34334
PNG
(MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...)
Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)
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n/an/a 1.50E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34767
PNG
(MLS000548244 | N-(2,3-Dichloro-1-methoxy-4-oxo-1,4...)
Show SMILES COC1(NS(=O)(=O)c2ccc(C)cc2)C(Cl)=C(Cl)C(=O)c2ccccc12 |t:16|
Show InChI InChI=1S/C18H15Cl2NO4S/c1-11-7-9-12(10-8-11)26(23,24)21-18(25-2)14-6-4-3-5-13(14)16(22)15(19)17(18)20/h3-10,21H,1-2H3
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n/an/a 2.10E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34657
PNG
(MLS000121202 | SMR000118624 | [(3-methyl-4-oxidany...)
Show SMILES CC1=CC(C=CC1=O)=NOS(=O)(=O)c1ccccc1 |w:8.9,c:4,t:1|
Show InChI InChI=1S/C13H11NO4S/c1-10-9-11(7-8-13(10)15)14-18-19(16,17)12-5-3-2-4-6-12/h2-9H,1H3
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n/an/a 2.71E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34774
PNG
(2-(4-bromophenyl)-3-ethanoyl-naphthalene-1,4-dione...)
Show SMILES CC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 |t:3|
Show InChI InChI=1S/C18H11BrO3/c1-10(20)15-16(11-6-8-12(19)9-7-11)18(22)14-5-3-2-4-13(14)17(15)21/h2-9H,1H3
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n/an/a 3.13E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34917
PNG
(MLS000689772 | N-[4-hydroxy-3-(1H-1,2,4-triazol-3-...)
Show SMILES Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H14N4O3S2/c23-17-14-9-5-4-8-13(14)15(10-16(17)26-18-19-11-20-21-18)22-27(24,25)12-6-2-1-3-7-12/h1-11,22-23H,(H,19,20,21)
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n/an/a 3.32E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34707
PNG
(MLS000571067 | SMR000150695 | [(2,5-dimethyl-4-oxi...)
Show SMILES Oc1cc(=C)c(NOS(=O)(=O)c2ccccc2)cc1=C
Show InChI InChI=1S/C14H13NO4S/c1-10-9-14(16)11(2)8-13(10)15-19-20(17,18)12-6-4-3-5-7-12/h3-9,15-16H,1-2H2
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n/an/a 3.73E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34977
PNG
((4Z)-4-[(2-hydroxyethylamino)methylene]-5-keto-2-m...)
Show SMILES CCOC(=O)c1c(C)oc2c1c(C=NCCO)c(O)c1ccccc21 |w:13.14|
Show InChI InChI=1S/C19H19NO5/c1-3-24-19(23)15-11(2)25-18-13-7-5-4-6-12(13)17(22)14(16(15)18)10-20-8-9-21/h4-7,10,21-22H,3,8-9H2,1-2H3
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n/an/a 4.48E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34678
PNG
(2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyph...)
Show SMILES Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H14N2O4/c20-14-7-6-13(16(22)17(14)23)15(21)8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10,20,22-23H,8H2
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n/an/a 4.69E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34698
PNG
(3-[(3-amino-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino...)
Show SMILES Nc1n[nH]c(=S)n1NC1=c2ccccc2=NC1=O |c:9,16|
Show InChI InChI=1S/C10H8N6OS/c11-9-13-14-10(18)16(9)15-7-5-3-1-2-4-6(5)12-8(7)17/h1-4H,(H2,11,13)(H,14,18)(H,12,15,17)
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n/an/a 4.84E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34786
PNG
(3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-2-ium...)
Show SMILES Cc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1
Show InChI InChI=1S/C15H13N3S/c1-11-7-9-12(10-8-11)14-17-15(16)19-18(14)13-5-3-2-4-6-13/h2-10,16H,1H3/p+1
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n/an/a 4.91E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34800
PNG
(2,3-dimethyl-4-({[(4-methylphenyl)sulfonyl]oxy}imi...)
Show SMILES CC1=C(C)C(C=CC1=O)=NOS(=O)(=O)c1ccc(C)cc1 |w:9.10,c:1,5|
Show InChI InChI=1S/C15H15NO4S/c1-10-4-6-13(7-5-10)21(18,19)20-16-14-8-9-15(17)12(3)11(14)2/h4-9H,1-3H3
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n/an/a 5.11E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM33145
PNG
(3-[[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O |w:17.17|
Show InChI InChI=1S/C18H21N3O6S/c1-3-21(4-2)28(26,27)14-7-5-6-12(10-14)18(25)20-19-11-13-8-9-15(22)17(24)16(13)23/h5-11,22-24H,3-4H2,1-2H3,(H,20,25)
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n/an/a 5.36E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34595
PNG
(4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1 |c:10|
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,4H2,1-3H3,(H,21,25)
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n/an/a 5.40E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

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Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34796
PNG
(5-isopropyl-2-methyl-4-{[(phenylsulfonyl)oxy]imino...)
Show SMILES CC(=C)c1cc(O)c(C)cc1NOS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H17NO4S/c1-11(2)14-10-16(18)12(3)9-15(14)17-21-22(19,20)13-7-5-4-6-8-13/h4-10,17-18H,1H2,2-3H3
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n/an/a 6.04E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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n/an/a 6.09E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM33086
PNG
((4-chloro-2,5-dimethoxy-phenyl)-(4-chlorodithiazol...)
Show SMILES COc1cc(\N=c2\ssnc2Cl)c(OC)cc1Cl
Show InChI InChI=1S/C10H8Cl2N2O2S2/c1-15-7-4-6(8(16-2)3-5(7)11)13-10-9(12)14-18-17-10/h3-4H,1-2H3/b13-10+
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Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM33085
PNG
(4-[(4-chloranyl-1,2,3-dithiazol-5-ylidene)amino]be...)
Show SMILES Clc1nss\c1=N\c1ccc(cc1)C#N
Show InChI InChI=1S/C9H4ClN3S2/c10-8-9(14-15-13-8)12-7-3-1-6(5-11)2-4-7/h1-4H/b12-9+
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n/an/a 6.34E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34661
PNG
(2-(1-Cyclopropanecarbonyl-2,2-dimethyl-3-thioxo-2,...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#16]\[#6](-[#16]-1)=[#6]-1/[#6](=S)C([#6])([#6])[#7](-[#6](=O)-[#6]-2-[#6]-[#6]-2)-c2ccccc-12)-[#6](=O)-[#8]-[#6] |t:4|
Show InChI InChI=1S/C22H21NO5S3/c1-22(2)17(29)14(21-30-15(19(25)27-3)16(31-21)20(26)28-4)12-7-5-6-8-13(12)23(22)18(24)11-9-10-11/h5-8,11H,9-10H2,1-4H3
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n/an/a 6.47E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34934
PNG
(2-furancarboxylic acid [4-(4-formyl-2-pyrimidinyl)...)
Show SMILES O=Cc1ccnc(n1)-c1ccc(OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C16H10N2O4/c19-10-12-7-8-17-15(18-12)11-3-5-13(6-4-11)22-16(20)14-2-1-9-21-14/h1-10H
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n/an/a 6.56E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34791
PNG
(MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...)
Show SMILES CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
Show InChI InChI=1S/C16H15N3S/c1-12-8-10-14(11-9-12)19-15(18-16(17-2)20-19)13-6-4-3-5-7-13/h3-11H,1-2H3/p+1
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n/an/a 6.89E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34579
PNG
(4-[[cyclohexyl(methyl)amino]methyl]-3-hydroxy-6-be...)
Show SMILES CN(Cc1c(O)ccc2c3ccccc3c(=O)oc12)C1CCCCC1
Show InChI InChI=1S/C21H23NO3/c1-22(14-7-3-2-4-8-14)13-18-19(23)12-11-16-15-9-5-6-10-17(15)21(24)25-20(16)18/h5-6,9-12,14,23H,2-4,7-8,13H2,1H3
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n/an/a 7.13E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34665
PNG
(2-(1-Isobutyryl-2,2-dimethyl-3-thioxo-2,3-dihydro-...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#16]\[#6](-[#16]-1)=[#6]-1/[#6](=S)C([#6])([#6])[#7](-[#6](=O)-[#6](-[#6])-[#6])-c2ccccc-12)-[#6](=O)-[#8]-[#6] |t:4|
Show InChI InChI=1S/C22H23NO5S3/c1-11(2)18(24)23-13-10-8-7-9-12(13)14(17(29)22(23,3)4)21-30-15(19(25)27-5)16(31-21)20(26)28-6/h7-11H,1-6H3
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n/an/a 7.38E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34925
PNG
(5-fluoranylquinolin-8-ol | 5-fluoro-8-quinolinol |...)
Show SMILES Oc1ccc(F)c2cccnc12
Show InChI InChI=1S/C9H6FNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
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n/an/a 7.42E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
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n/an/a 7.48E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34840
PNG
(MLS000393172 | N'-[(E)-(2,3-dihydroxy-4-keto-cyclo...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1ccc(O)c(O)c1O |w:15.16|
Show InChI InChI=1S/C18H18N4O4/c1-3-22-10(2)20-13-8-11(4-6-14(13)22)18(26)21-19-9-12-5-7-15(23)17(25)16(12)24/h4-9,23-25H,3H2,1-2H3,(H,21,26)
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n/an/a 8.47E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34886
PNG
((E)-3-[6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)couma...)
Show SMILES CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1
Show InChI InChI=1S/C14H16O5/c1-14(2,18)12-6-9-5-8(3-4-13(16)17)10(15)7-11(9)19-12/h3-5,7,12,15,18H,6H2,1-2H3,(H,16,17)/b4-3+
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n/an/a 8.63E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34823
PNG
((3-chloro-5-ethoxy-4-methoxy-benzyl)-(4-pyrrolidin...)
Show SMILES CCOc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
Show InChI InChI=1S/C20H25ClN2O2/c1-3-25-19-13-15(12-18(21)20(19)24-2)14-22-16-6-8-17(9-7-16)23-10-4-5-11-23/h6-9,12-13,22H,3-5,10-11,14H2,1-2H3
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n/an/a 8.91E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34972
PNG
(MLS000759648 | N''-[(E)-(2,3-dihydroxy-4-oxo-1-cyc...)
Show SMILES Oc1ccc(C=NNC(=O)Cc2csc(n2)N2CCOCC2)c(O)c1O |w:6.6|
Show InChI InChI=1S/C16H18N4O5S/c21-12-2-1-10(14(23)15(12)24)8-17-19-13(22)7-11-9-26-16(18-11)20-3-5-25-6-4-20/h1-2,8-9,21,23-24H,3-7H2,(H,19,22)
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n/an/a 8.94E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34849
PNG
(6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-...)
Show SMILES Cc1ccccc1-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-4-2-3-5-12(9)16-14(17)11-7-6-10(15)8-13(11)18-16/h2-8H,1H3
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n/an/a 8.95E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34683
PNG
(3-(phenylcarbonyl)benzo[g][1]benzofuran-4,5-dione ...)
Show SMILES O=C(c1coc-2c1C(=O)C(=O)c1ccccc-21)c1ccccc1
Show InChI InChI=1S/C19H10O4/c20-16(11-6-2-1-3-7-11)14-10-23-19-13-9-5-4-8-12(13)17(21)18(22)15(14)19/h1-10H
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n/an/a 9.00E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34981
PNG
(2,3-bis(oxidanyl)-1H-quinolin-4-one | 2,3-dihydrox...)
Show SMILES Oc1c(O)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO3/c11-7-5-3-1-2-4-6(5)10-9(13)8(7)12/h1-4,12H,(H2,10,11,13)
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n/an/a 9.69E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34606
PNG
(1-(4-isopropylphenyl)-2-(4H-1,2,4-triazol-3-ylthio...)
Show SMILES CC(C)c1ccc(cc1)C(=O)CSc1nnc[nH]1
Show InChI InChI=1S/C13H15N3OS/c1-9(2)10-3-5-11(6-4-10)12(17)7-18-13-14-8-15-16-13/h3-6,8-9H,7H2,1-2H3,(H,14,15,16)
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n/an/a 9.69E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM22775
PNG
(3,5-di-tert-butylcyclohexa-3,5-diene-1,2-dione | B...)
Show SMILES CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C |c:10,t:4|
Show InChI InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
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n/an/a 9.84E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34633
PNG
(5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C(N1CCc2ccccc2C1)c1sc2nc(C)nn2c1O
Show InChI InChI=1S/C22H22N4O2S/c1-14-23-22-26(24-14)21(27)20(29-22)19(16-7-9-18(28-2)10-8-16)25-12-11-15-5-3-4-6-17(15)13-25/h3-10,19,27H,11-13H2,1-2H3
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n/an/a 9.88E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34971
PNG
((4E)-2,3-dihydroxy-4-[(4-morpholinylamino)methylid...)
Show SMILES Oc1ccc(C=NN2CCOCC2)c(O)c1O |w:6.6|
Show InChI InChI=1S/C11H14N2O4/c14-9-2-1-8(10(15)11(9)16)7-12-13-3-5-17-6-4-13/h1-2,7,14-16H,3-6H2
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n/an/a 1.03E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34860
PNG
(4-[(8-hydroxy-5-quinolinyl)methyl]-1-piperazinecar...)
Show SMILES CCOC(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C17H21N3O3/c1-2-23-17(22)20-10-8-19(9-11-20)12-13-5-6-15(21)16-14(13)4-3-7-18-16/h3-7,21H,2,8-12H2,1H3
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n/an/a 1.06E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34656
PNG
((6E)-2-hydroxy-6-(o-toluidinomethylene)cyclohexa-2...)
Show SMILES Cc1ccccc1N=Cc1cccc(O)c1O |w:7.7|
Show InChI InChI=1S/C14H13NO2/c1-10-5-2-3-7-12(10)15-9-11-6-4-8-13(16)14(11)17/h2-9,16-17H,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34951
PNG
((1,3,3-trimethyl-2-methylene-6-nitro-indolin-5-yl)...)
Show SMILES CN1C(=C)C(C)(C)c2cc(N)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C12H15N3O2/c1-7-12(2,3)8-5-9(13)11(15(16)17)6-10(8)14(7)4/h5-6H,1,13H2,2-4H3
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n/an/a 1.15E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34659
PNG
(5-(o-Tolylamino-methyl)-quinolin-8-ol | 5-(o-tolui...)
Show SMILES Cc1ccccc1NCc1ccc(O)c2ncccc12
Show InChI InChI=1S/C17H16N2O/c1-12-5-2-3-7-15(12)19-11-13-8-9-16(20)17-14(13)6-4-10-18-17/h2-10,19-20H,11H2,1H3
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n/an/a 1.15E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34966
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
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n/an/a 1.17E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34838
PNG
(4-[(5-chloro-8-hydroxy-7-quinolinyl)methyl]-1-pipe...)
Show SMILES CCOC(=O)N1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1
Show InChI InChI=1S/C17H20ClN3O3/c1-2-24-17(23)21-8-6-20(7-9-21)11-12-10-14(18)13-4-3-5-19-15(13)16(12)22/h3-5,10,22H,2,6-9,11H2,1H3
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n/an/a 1.18E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34580
PNG
((2Z)-2-[[hydroxy(methyl)amino]methylene]quinolin-8...)
Show SMILES CN(O)\C=c1\ccc2=CC=CC(=O)c2n1 |c:9,t:7|
Show InChI InChI=1S/C11H10N2O2/c1-13(15)7-9-6-5-8-3-2-4-10(14)11(8)12-9/h2-7,15H,1H3/b9-7-
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n/an/a 1.18E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM33090
PNG
((4E)-4-[[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)a...)
Show SMILES CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1|
Show InChI InChI=1S/C13H15N3O3S/c1-3-14-13-16(8(2)7-20-13)15-6-9-4-5-10(17)12(19)11(9)18/h4-7,17-19H,3H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34804
PNG
((4E)-4-[(2-benzhydrylidenehydrazinyl)methylidene]-...)
Show SMILES [#8]-c1ccc(-[#6]=[#7]\[#7]=[#6](/c2ccccc2)-c2ccccc2)c(-[#8])c1-[#8] |w:6.6|
Show InChI InChI=1S/C20H16N2O3/c23-17-12-11-16(19(24)20(17)25)13-21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,23-25H
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n/an/a 1.21E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM34922
PNG
(3-(3-methylolanilino)-5-nitro-indol-2-one | 3-[3-(...)
Show SMILES OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c19-8-9-2-1-3-10(6-9)16-14-12-7-11(18(21)22)4-5-13(12)17-15(14)20/h1-7,19H,8H2,(H,16,17,20)
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n/an/a 1.24E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%