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Compile Data Set for Download or QSAR

Found 937 hits Enz. Inhib. hit(s) with Target = 'Mannose-6-phosphate isomerase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50071531
PNG
(2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-indan-2-...)
Show SMILES NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl2N2O3/c21-15-7-8-17(16(22)10-15)27-9-3-6-18(25)24-20(19(23)26)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H2,23,26)(H,24,25)
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4.00E+3n/an/an/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM50071516
PNG
(2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...)
Show SMILES ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O3S/c21-16-8-7-15(10-17(16)22)28-9-3-6-18(25)23-20(19(26)24-27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,27H,3,6,9,11-12H2,(H,23,25)(H,24,26)
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4.00E+3n/an/an/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM50071516
PNG
(2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...)
Show SMILES ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O3S/c21-16-8-7-15(10-17(16)22)28-9-3-6-18(25)23-20(19(26)24-27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,27H,3,6,9,11-12H2,(H,23,25)(H,24,26)
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2.60E+4n/an/an/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against human phosphomannose isomerase (huPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
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 190n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
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 270n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34903
PNG
((2E)-2-(p-anisidinomethylene)tetralin-1-one | (2E)...)
Show SMILES COc1ccc(NC=C2CCc3ccccc3C2=O)cc1
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)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46036
PNG
(2-[[3-(3-keto-1,2-benzothiazol-2-yl)phenyl]sulfony...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H14N2O5S2/c23-19-16-9-2-4-11-18(16)28-22(19)13-6-5-7-14(12-13)29(26,27)21-17-10-3-1-8-15(17)20(24)25/h1-12,21H,(H,24,25)
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n/an/a 707n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46632
PNG
(2-(4-fluorophenyl)-4,6-dinitro-1,2-benzothiazol-3-...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(F)cc1)c2=O
Show InChI InChI=1S/C13H6FN3O5S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)23-15/h1-6H
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n/an/a 709n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM46036
PNG
(2-[[3-(3-keto-1,2-benzothiazol-2-yl)phenyl]sulfony...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H14N2O5S2/c23-19-16-9-2-4-11-18(16)28-22(19)13-6-5-7-14(12-13)29(26,27)21-17-10-3-1-8-15(17)20(24)25/h1-12,21H,(H,24,25)
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n/an/a 710n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34641
PNG
((2E)-2-[(1,3-benzodioxol-5-ylamino)methylene]tetra...)
Show SMILES O=C1C(CCc2ccccc12)=CNc1ccc2OCOc2c1
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)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46060
PNG
(2-(2,5-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...)
Show SMILES Cc1ccc(C)c(c1)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3
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n/an/a 985n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM44446
PNG
(4-[2-[[(5Z)-5-(3-indolylidene)-4-(2-methoxyethyl)-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1CCOC
Show InChI InChI=1S/C22H28N6O4S/c1-3-32-22(30)27-10-8-26(9-11-27)19(29)15-33-21-25-24-20(28(21)12-13-31-2)17-14-23-18-7-5-4-6-16(17)18/h4-7,14,23H,3,8-13,15H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


Citation and Details
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM44461
PNG
(5-[(2-methoxyphenyl)-oxomethoxy]-1-phenyl-3-pyrazo...)
Show SMILES CCOC(=O)c1cc(OC(=O)c2ccccc2OC)n(n1)-c1ccccc1
Show InChI InChI=1S/C20H18N2O5/c1-3-26-20(24)16-13-18(22(21-16)14-9-5-4-6-10-14)27-19(23)15-11-7-8-12-17(15)25-2/h4-13H,3H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


Citation and Details
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM46620
PNG
(6-fluoranyl-2-(4-methoxyphenyl)-1,2-benzothiazol-3...)
Show SMILES COc1ccc(cc1)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNO2S/c1-18-11-5-3-10(4-6-11)16-14(17)12-7-2-9(15)8-13(12)19-16/h2-8H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46087
PNG
(5-fluoranyl-2-(4-methoxyphenyl)-1,2-benzothiazol-3...)
Show SMILES COc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
Show InChI InChI=1S/C14H10FNO2S/c1-18-11-5-3-10(4-6-11)16-14(17)12-8-9(15)2-7-13(12)19-16/h2-8H,1H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46728
PNG
((Z)-(4-chlorodithiazol-5-ylidene)-(5-methyl-1,3,4-...)
Show SMILES Cc1nnc(\N=c2/ssnc2Cl)o1
Show InChI InChI=1S/C5H3ClN4OS2/c1-2-8-9-5(11-2)7-4-3(6)10-13-12-4/h1H3/b7-4-
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n/an/a 1.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM46060
PNG
(2-(2,5-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...)
Show SMILES Cc1ccc(C)c(c1)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46060
PNG
(2-(2,5-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...)
Show SMILES Cc1ccc(C)c(c1)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46057
PNG
(5-fluoranyl-2-phenyl-1,2-benzothiazol-3-one | 5-fl...)
Show SMILES Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C13H8FNOS/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H
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n/an/a 1.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
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
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 1.27E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM61910
PNG
(6-fluoranyl-2-phenyl-1,2-benzothiazol-3-one | 6-fl...)
Show SMILES Fc1ccc2c(c1)sn(-c1ccccc1)c2=O
Show InChI InChI=1S/C13H8FNOS/c14-9-6-7-11-12(8-9)17-15(13(11)16)10-4-2-1-3-5-10/h1-8H
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM44443
PNG
(2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-cyano...)
Show SMILES CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
Show InChI InChI=1S/C27H21N3O6/c1-15(2)13-19(30-26(32)16-7-3-4-8-17(16)27(30)33)24(31)29-25-18(14-28)22(20-9-5-11-34-20)23(36-25)21-10-6-12-35-21/h3-12,15,19H,13H2,1-2H3,(H,29,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


Citation and Details
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46630
PNG
(2-(2-fluorophenyl)-4,6-dinitro-1,2-benzothiazol-3-...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccccc1F)c2=O
Show InChI InChI=1S/C13H6FN3O5S/c14-8-3-1-2-4-9(8)15-13(18)12-10(17(21)22)5-7(16(19)20)6-11(12)23-15/h1-6H
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n/an/a 1.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46079
PNG
(2-(4-fluorophenyl)-1,2-benzothiazol-3-one | MLS-03...)
Show SMILES Fc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8FNOS/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
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n/an/a 1.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46654
PNG
(MLS-0315804.0001 | N-(4-chlorophenyl)-3-(3-keto-1,...)
Show SMILES Clc1ccc(NS(=O)(=O)c2cccc(c2)-n2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C19H13ClN2O3S2/c20-13-8-10-14(11-9-13)21-27(24,25)16-5-3-4-15(12-16)22-19(23)17-6-1-2-7-18(17)26-22/h1-12,21H
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n/an/a 1.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46043
PNG
(2-(2,5-dimethylphenyl)-1,2-benzothiazol-3-one | ML...)
Show SMILES Cc1ccc(C)c(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H13NOS/c1-10-7-8-11(2)13(9-10)16-15(17)12-5-3-4-6-14(12)18-16/h3-9H,1-2H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46732
PNG
(2-(4-chlorophenyl)-5-fluoranyl-1,2-benzothiazol-3-...)
Show SMILES Fc1ccc2sn(-c3ccc(Cl)cc3)c(=O)c2c1
Show InChI InChI=1S/C13H7ClFNOS/c14-8-1-4-10(5-2-8)16-13(17)11-7-9(15)3-6-12(11)18-16/h1-7H
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n/an/a 1.77E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM46732
PNG
(2-(4-chlorophenyl)-5-fluoranyl-1,2-benzothiazol-3-...)
Show SMILES Fc1ccc2sn(-c3ccc(Cl)cc3)c(=O)c2c1
Show InChI InChI=1S/C13H7ClFNOS/c14-8-1-4-10(5-2-8)16-13(17)11-7-9(15)3-6-12(11)18-16/h1-7H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


Citation and Details
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46059
PNG
(2-(2,5-dimethylphenyl)-5-fluoranyl-1,2-benzothiazo...)
Show SMILES Cc1ccc(C)c(c1)-n1sc2ccc(F)cc2c1=O
Show InChI InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-8-11(16)5-6-14(12)19-17/h3-8H,1-2H3
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n/an/a 1.88E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM46691
PNG
(2-(4-chlorophenyl)-1,2-benzothiazol-3-one | MLS-03...)
Show SMILES Clc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8ClNOS/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


Citation and Details
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM44445
PNG
(3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidin-1-ylca...)
Show SMILES O=C(N1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C22H21N3O4S/c26-20(24-8-2-1-3-9-24)15-5-6-16-17(11-15)23-22(30)25(21(16)27)12-14-4-7-18-19(10-14)29-13-28-18/h4-7,10-11H,1-3,8-9,12-13H2,(H,23,30)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


Citation and Details
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM44457
PNG
((4Z)-4-[(2-methylsulfanylanilino)methylidene]-2-ph...)
Show SMILES CSc1ccccc1N=Cc1nc(oc1O)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-22-15-10-6-5-9-13(15)18-11-14-17(20)21-16(19-14)12-7-3-2-4-8-12/h2-11,20H,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


Citation and Details
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46612
PNG
(5-(3-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-th...)
Show SMILES Clc1cccc(c1)-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H6ClN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46636
PNG
(2-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-4,6-...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(OC(F)(F)Cl)cc1)c2=O
Show InChI InChI=1S/C14H6ClF2N3O6S/c15-14(16,17)26-9-3-1-7(2-4-9)18-13(21)12-10(20(24)25)5-8(19(22)23)6-11(12)27-18/h1-6H
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n/an/a 2.14E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM45773
PNG
(3-(3-oxidanylidene-1,2-benzothiazol-2-yl)-N-(pheny...)
Show SMILES O=C(NCc1ccccc1)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C21H16N2O2S/c24-20(22-14-15-7-2-1-3-8-15)16-9-6-10-17(13-16)23-21(25)18-11-4-5-12-19(18)26-23/h1-13H,14H2,(H,22,24)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46676
PNG
((Z)-(4-chlorodithiazol-5-ylidene)-(1,3,4-thiadiazo...)
Show SMILES Clc1nss\c1=N/c1nncs1
Show InChI InChI=1S/C4HClN4S3/c5-2-3(11-12-9-2)7-4-8-6-1-10-4/h1H/b7-3-
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n/an/a 2.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM45773
PNG
(3-(3-oxidanylidene-1,2-benzothiazol-2-yl)-N-(pheny...)
Show SMILES O=C(NCc1ccccc1)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C21H16N2O2S/c24-20(22-14-15-7-2-1-3-8-15)16-9-6-10-17(13-16)23-21(25)18-11-4-5-12-19(18)26-23/h1-13H,14H2,(H,22,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46691
PNG
(2-(4-chlorophenyl)-1,2-benzothiazol-3-one | MLS-03...)
Show SMILES Clc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8ClNOS/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
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n/an/a 2.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34336
PNG
(2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S2/c25-21-17-3-1-2-4-20(17)30-24(21)19-15-16(31(26,27)23-9-13-29-14-10-23)5-6-18(19)22-7-11-28-12-8-22/h1-6,15H,7-14H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM34336
PNG
(2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S2/c25-21-17-3-1-2-4-20(17)30-24(21)19-15-16(31(26,27)23-9-13-29-14-10-23)5-6-18(19)22-7-11-28-12-8-22/h1-6,15H,7-14H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34960
PNG
(2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one | 2-(2...)
Show SMILES O=c1n(sc2ccccc12)-c1nccs1
Show InChI InChI=1S/C10H6N2OS2/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H
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n/an/a 2.65E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46086
PNG
(5-fluoranyl-2-(4-fluorophenyl)-1,2-benzothiazol-3-...)
Show SMILES Fc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
Show InChI InChI=1S/C13H7F2NOS/c14-8-1-4-10(5-2-8)16-13(17)11-7-9(15)3-6-12(11)18-16/h1-7H
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n/an/a 2.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34657
PNG
(MLS000121202 | SMR000118624 | [(3-methyl-4-oxidany...)
Show SMILES CC1=CC(C=CC1=O)=NOS(=O)(=O)c1ccccc1
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)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
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 2.79E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
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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Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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