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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'freeze' and Initial = 'hh'   
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))
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


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44457
PNG
((4Z)-4-[(2-methylsulfanylanilino)methylidene]-2-ph...)
Show SMILES CSc1ccccc1N=Cc1nc(oc1O)-c1ccccc1 |w:8.8|
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


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
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 2.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44382
PNG
(3-(2-Chloro-phenyl)-7-methyl-7H-pyrazolo[4,3-e][1,...)
Show SMILES Cn1ncc2c1ncn1c(nnc21)-c1ccccc1Cl
Show InChI InChI=1S/C13H9ClN6/c1-19-11-9(6-16-19)13-18-17-12(20(13)7-15-11)8-4-2-3-5-10(8)14/h2-7H,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44453
PNG
(MLS000102133 | N-[(1,2-dimethyl-5-indolyl)methyl]-...)
Show SMILES Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)ccc2n1C
Show InChI InChI=1S/C23H27N3O3S/c1-17-14-20-15-18(6-11-22(20)25(17)2)16-24-23(27)19-7-9-21(10-8-19)30(28,29)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,24,27)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46694
PNG
(2-(3-methoxyphenyl)-1,2-benzothiazol-3-one | MLS-0...)
Show SMILES COc1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NO2S/c1-17-11-6-4-5-10(9-11)15-14(16)12-7-2-3-8-13(12)18-15/h2-9H,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46692
PNG
(2-(3-iodanylphenyl)-1,2-benzothiazol-3-one | 2-(3-...)
Show SMILES Ic1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8INOS/c14-9-4-3-5-10(8-9)15-13(16)11-6-1-2-7-12(11)17-15/h1-8H
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n/an/a 4.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46731
PNG
(5-fluoranyl-2-(2-fluorophenyl)-1,2-benzothiazol-3-...)
Show SMILES Fc1ccc2sn(-c3ccccc3F)c(=O)c2c1
Show InChI InChI=1S/C13H7F2NOS/c14-8-5-6-12-9(7-8)13(17)16(18-12)11-4-2-1-3-10(11)15/h1-7H
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n/an/a 4.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44454
PNG
(2-(2-furanylmethylidene)-5-(3-methoxyphenyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
Show InChI InChI=1S/C22H20N2O5S/c1-4-28-21(26)18-13(2)23-22-24(19(18)14-7-5-8-15(11-14)27-3)20(25)17(30-22)12-16-9-6-10-29-16/h5-12,19H,4H2,1-3H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44441
PNG
(MLS000098295 | SMR000066971 | cid_2998095)
Show SMILES Cc1nn(c2N=C3C=CC(=CN3C(c12)c1cccnc1)S(=O)(=O)N1CCCCC1)-c1ccccc1 |c:7,9,t:5|
Show InChI InChI=1S/C26H26N6O2S/c1-19-24-25(20-9-8-14-27-17-20)31-18-22(35(33,34)30-15-6-3-7-16-30)12-13-23(31)28-26(24)32(29-19)21-10-4-2-5-11-21/h2,4-5,8-14,17-18,25H,3,6-7,15-16H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44458
PNG
(4-[[benzenesulfonyl(2-pyridinyl)amino]methyl]benzo...)
Show SMILES OC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O4S/c22-19(23)16-11-9-15(10-12-16)14-21(18-8-4-5-13-20-18)26(24,25)17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM34737
PNG
(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Show SMILES Cc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44450
PNG
((3,5-dimethylpyrazol-1-yl)methyl-[4-(trifluorometh...)
Show SMILES Cc1cc(C)n(CNc2nc(cs2)C(F)(F)F)n1
Show InChI InChI=1S/C10H11F3N4S/c1-6-3-7(2)17(16-6)5-14-9-15-8(4-18-9)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44439
PNG
(2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...)
Show SMILES O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1
Show InChI InChI=1S/C18H16N4O2S2/c19-12-15(26(23,24)16-8-5-11-25-16)17-18(22-9-3-4-10-22)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11,15H,3-4,9-10H2
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n/an/a 6.40E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44440
PNG
(2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-...)
Show SMILES Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C
Show InChI InChI=1S/C22H20N4O2S/c1-15-17(12-13-28-15)21-24-25-22(26(21)2)29-14-20(27)23-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,23,27)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
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 7.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46733
PNG
(5-fluoranyl-2-(3-fluorophenyl)-1,2-benzothiazol-3-...)
Show SMILES Fc1cccc(c1)-n1sc2ccc(F)cc2c1=O
Show InChI InChI=1S/C13H7F2NOS/c14-8-2-1-3-10(6-8)16-13(17)11-7-9(15)4-5-12(11)18-16/h1-7H
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n/an/a 8.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44451
PNG
(MLS000043622 | N-(2-oxidanylidene-1,3-benzoxathiol...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO5S2/c1-10(17)16(23(19,20)12-5-3-2-4-6-12)11-7-8-13-14(9-11)22-15(18)21-13/h2-9H,1H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
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 9.10E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44455
PNG
((4Z)-4-[(E)-3-(2-furanyl)prop-2-enylidene]-2-(prop...)
Show SMILES CCCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1 |t:4|
Show InChI InChI=1S/C13H13NO2S2/c1-2-9-17-13-14-11(12(15)18-13)7-3-5-10-6-4-8-16-10/h3-8H,2,9H2,1H3/b5-3+,11-7-
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n/an/a 9.40E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46696
PNG
(2-phenyl-1-benzothiophen-3-one | 2-phenylbenzothio...)
Show SMILES Oc1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H10OS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,15H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46672
PNG
(2-(2,5-dimethylphenyl)-1H-indazol-3-one | 2-(2,5-d...)
Show SMILES Cc1ccc(C)c(c1)-n1[nH]c2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O/c1-10-7-8-11(2)14(9-10)17-15(18)12-5-3-4-6-13(12)16-17/h3-9,16H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM46694
PNG
(2-(3-methoxyphenyl)-1,2-benzothiazol-3-one | MLS-0...)
Show SMILES COc1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NO2S/c1-17-11-6-4-5-10(9-11)15-14(16)12-7-2-3-8-13(12)18-15/h2-9H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44442
PNG
(2-(1-methyl-2-benzimidazolyl)-2-[4-oxo-3-prop-2-en...)
Show SMILES COc1cc(C=c2s\c(=C(\C#N)c3nc4ccccc4n3C)n(CC=C)c2=O)cc(OC)c1OC
Show InChI InChI=1S/C26H24N4O4S/c1-6-11-30-25(31)22(14-16-12-20(32-3)23(34-5)21(13-16)33-4)35-26(30)17(15-27)24-28-18-9-7-8-10-19(18)29(24)2/h6-10,12-14H,1,11H2,2-5H3/b22-14?,26-17-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44382
PNG
(3-(2-Chloro-phenyl)-7-methyl-7H-pyrazolo[4,3-e][1,...)
Show SMILES Cn1ncc2c1ncn1c(nnc21)-c1ccccc1Cl
Show InChI InChI=1S/C13H9ClN6/c1-19-11-9(6-16-19)13-18-17-12(20(13)7-15-11)8-4-2-3-5-10(8)14/h2-7H,1H3
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n/an/a 1.29E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44457
PNG
((4Z)-4-[(2-methylsulfanylanilino)methylidene]-2-ph...)
Show SMILES CSc1ccccc1N=Cc1nc(oc1O)-c1ccccc1 |w:8.8|
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 1.33E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44453
PNG
(MLS000102133 | N-[(1,2-dimethyl-5-indolyl)methyl]-...)
Show SMILES Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)ccc2n1C
Show InChI InChI=1S/C23H27N3O3S/c1-17-14-20-15-18(6-11-22(20)25(17)2)16-24-23(27)19-7-9-21(10-8-19)30(28,29)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,24,27)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM50071519
PNG
(2-[4-(2,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...)
Show SMILES NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl2N2O2S/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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n/an/a 1.40E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44441
PNG
(MLS000098295 | SMR000066971 | cid_2998095)
Show SMILES Cc1nn(c2N=C3C=CC(=CN3C(c12)c1cccnc1)S(=O)(=O)N1CCCCC1)-c1ccccc1 |c:7,9,t:5|
Show InChI InChI=1S/C26H26N6O2S/c1-19-24-25(20-9-8-14-27-17-20)31-18-22(35(33,34)30-15-6-3-7-16-30)12-13-23(31)28-26(24)32(29-19)21-10-4-2-5-11-21/h2,4-5,8-14,17-18,25H,3,6-7,15-16H2,1H3
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n/an/a 1.54E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44440
PNG
(2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-...)
Show SMILES Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C
Show InChI InChI=1S/C22H20N4O2S/c1-15-17(12-13-28-15)21-24-25-22(26(21)2)29-14-20(27)23-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,23,27)
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n/an/a 1.79E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44454
PNG
(2-(2-furanylmethylidene)-5-(3-methoxyphenyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
Show InChI InChI=1S/C22H20N2O5S/c1-4-28-21(26)18-13(2)23-22-24(19(18)14-7-5-8-15(11-14)27-3)20(25)17(30-22)12-16-9-6-10-29-16/h5-12,19H,4H2,1-3H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
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>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44451
PNG
(MLS000043622 | N-(2-oxidanylidene-1,3-benzoxathiol...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO5S2/c1-10(17)16(23(19,20)12-5-3-2-4-6-12)11-7-8-13-14(9-11)22-15(18)21-13/h2-9H,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44455
PNG
((4Z)-4-[(E)-3-(2-furanyl)prop-2-enylidene]-2-(prop...)
Show SMILES CCCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1 |t:4|
Show InChI InChI=1S/C13H13NO2S2/c1-2-9-17-13-14-11(12(15)18-13)7-3-5-10-6-4-8-16-10/h3-8H,2,9H2,1H3/b5-3+,11-7-
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM46692
PNG
(2-(3-iodanylphenyl)-1,2-benzothiazol-3-one | 2-(3-...)
Show SMILES Ic1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8INOS/c14-9-4-3-5-10(8-9)15-13(16)11-6-1-2-7-12(11)17-15/h1-8H
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44458
PNG
(4-[[benzenesulfonyl(2-pyridinyl)amino]methyl]benzo...)
Show SMILES OC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O4S/c22-19(23)16-11-9-15(10-12-16)14-21(18-8-4-5-13-20-18)26(24,25)17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44439
PNG
(2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...)
Show SMILES O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1
Show InChI InChI=1S/C18H16N4O2S2/c19-12-15(26(23,24)16-8-5-11-25-16)17-18(22-9-3-4-10-22)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11,15H,3-4,9-10H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM34737
PNG
(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Show SMILES Cc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44450
PNG
((3,5-dimethylpyrazol-1-yl)methyl-[4-(trifluorometh...)
Show SMILES Cc1cc(C)n(CNc2nc(cs2)C(F)(F)F)n1
Show InChI InChI=1S/C10H11F3N4S/c1-6-3-7(2)17(16-6)5-14-9-15-8(4-18-9)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44459
PNG
(1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...)
Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6|
Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(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>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM46733
PNG
(5-fluoranyl-2-(3-fluorophenyl)-1,2-benzothiazol-3-...)
Show SMILES Fc1cccc(c1)-n1sc2ccc(F)cc2c1=O
Show InChI InChI=1S/C13H7F2NOS/c14-8-2-1-3-10(6-8)16-13(17)11-7-9(15)4-5-12(11)18-16/h1-7H
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
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