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Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'kiffer-moreira' and Initial = 't'   
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
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447413
PNG
(CHEMBL3115157)
Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)
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3.20E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as subst...


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM45772
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)C(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-17(2)15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)21-18/h3-10H,1-2H3
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n/an/a 140n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM76214
PNG
(CHEMBL1322977 | MLS001096094 | N-(2,5-dimethylphen...)
Show SMILES Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-3-4-12(2)15(9-11)20-17(22)7-8-19-27(24,25)13-5-6-14-16(10-13)26-18(23)21-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
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n/an/a 400n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(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 500n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447450
PNG
(CHEMBL3115119)
Show SMILES COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
Show InChI InChI=1S/C18H19N3O7S/c1-26-14-6-3-11(9-16(14)27-2)20-17(22)7-8-19-29(24,25)12-4-5-13-15(10-12)28-18(23)21-13/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
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n/an/a 530n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447413
PNG
(CHEMBL3115157)
Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)
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n/an/a 540n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46037
PNG
(MLS-0315805.0001 | N,N-diethyl-3-(3-keto-1,2-benzo...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H18N2O3S2/c1-3-18(4-2)24(21,22)14-9-7-8-13(12-14)19-17(20)15-10-5-6-11-16(15)23-19/h5-12H,3-4H2,1-2H3
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n/an/a 560n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447458
PNG
(CHEMBL3115158)
Show SMILES COc1cccc(CNC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C17H17N3O6S/c1-25-12-4-2-3-11(7-12)9-18-16(21)10-19-27(23,24)13-5-6-14-15(8-13)26-17(22)20-14/h2-8,19H,9-10H2,1H3,(H,18,21)(H,20,22)
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n/an/a 730n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
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 790n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
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 810n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46044
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid methy...)
Show SMILES COC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11NO3S/c1-19-15(18)10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)20-16/h2-9H,1H3
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n/an/a 820n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46667
PNG
(2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-ben...)
Show SMILES O=c1n(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOS/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 940n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46035
PNG
(2-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-1,...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCOCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H15ClN2O4S2/c18-14-6-5-12(20-17(21)13-3-1-2-4-15(13)25-20)11-16(14)26(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2
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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 PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46058
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid | 3-(...)
Show SMILES OC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H9NO3S/c16-13-11-6-1-2-7-12(11)19-15(13)10-5-3-4-9(8-10)14(17)18/h1-8H,(H,17,18)
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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 PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
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 1.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46038
PNG
(4-(3-keto-1,2-benzothiazol-2-yl)benzoic acid ethyl...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H13NO3S/c1-2-20-16(19)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)21-17/h3-10H,2H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(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 1.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447426
PNG
(CHEMBL3115137)
Show SMILES COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
Show InChI InChI=1S/C21H25N3O7S/c1-29-17-8-5-14(12-19(17)30-2)9-11-22-20(25)4-3-10-23-32(27,28)15-6-7-16-18(13-15)31-21(26)24-16/h5-8,12-13,23H,3-4,9-11H2,1-2H3,(H,22,25)(H,24,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447415
PNG
(CHEMBL3115148)
Show SMILES COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
Show InChI InChI=1S/C19H21N3O7S/c1-27-15-8-5-12(10-17(15)28-2)21-18(23)4-3-9-20-30(25,26)13-6-7-14-16(11-13)29-19(24)22-14/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,21,23)(H,22,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM34340
PNG
(2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1,2-b...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3
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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 PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46655
PNG
(2-(3-chloranyl-4-fluoranyl-phenyl)-1,2-benzothiazo...)
Show SMILES Fc1ccc(cc1Cl)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H7ClFNOS/c14-10-7-8(5-6-11(10)15)16-13(17)9-3-1-2-4-12(9)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 PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM76215
PNG
(CHEMBL1349252 | MLS001096095 | N-(3-cyanophenyl)-3...)
Show SMILES O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C17H14N4O5S/c18-10-11-2-1-3-12(8-11)20-16(22)6-7-19-27(24,25)13-4-5-14-15(9-13)26-17(23)21-14/h1-5,8-9,19H,6-7H2,(H,20,22)(H,21,23)
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n/an/a 1.82E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447449
PNG
(CHEMBL3115120)
Show SMILES O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1cccc(c1)C#N
Show InChI InChI=1S/C18H16N4O5S/c19-10-12-2-1-3-13(8-12)11-20-17(23)6-7-21-28(25,26)14-4-5-15-16(9-14)27-18(24)22-15/h1-5,8-9,21H,6-7,11H2,(H,20,23)(H,22,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447425
PNG
(CHEMBL3115138)
Show SMILES COc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C19H21N3O6S/c1-27-16-6-3-2-5-13(16)12-20-18(23)7-4-10-21-29(25,26)14-8-9-15-17(11-14)28-19(24)22-15/h2-3,5-6,8-9,11,21H,4,7,10,12H2,1H3,(H,20,23)(H,22,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447457
PNG
(CHEMBL3115159)
Show SMILES COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Show InChI InChI=1S/C17H17N3O6S/c1-25-12-4-2-11(3-5-12)9-18-16(21)10-19-27(23,24)13-6-7-14-15(8-13)26-17(22)20-14/h2-8,19H,9-10H2,1H3,(H,18,21)(H,20,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447448
PNG
(CHEMBL3115121)
Show SMILES COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Show InChI InChI=1S/C18H19N3O6S/c1-26-13-4-2-12(3-5-13)11-19-17(22)8-9-20-28(24,25)14-6-7-15-16(10-14)27-18(23)21-15/h2-7,10,20H,8-9,11H2,1H3,(H,19,22)(H,21,23)
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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 mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
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 PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447447
PNG
(CHEMBL3115122)
Show SMILES O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H17N3O7S/c22-17(19-9-11-1-4-14-16(7-11)27-10-26-14)5-6-20-29(24,25)12-2-3-13-15(8-12)28-18(23)21-13/h1-4,7-8,20H,5-6,9-10H2,(H,19,22)(H,21,23)
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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 mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46689
PNG
(2-(3-methylphenyl)-1,2-benzothiazol-3-one | 2-(m-t...)
Show SMILES Cc1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NOS/c1-10-5-4-6-11(9-10)15-14(16)12-7-2-3-8-13(12)17-15/h2-9H,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
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 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)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM34340
PNG
(2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1,2-b...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3
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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 phosphomannose isomerase (unknown origin)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46058
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid | 3-(...)
Show SMILES OC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H9NO3S/c16-13-11-6-1-2-7-12(11)19-15(13)10-5-3-4-9(8-10)14(17)18/h1-8H,(H,17,18)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
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 3.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
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 3.40E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM50057715
PNG
(CHEMBL3322971)
Show SMILES Fc1ccc(cc1)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C13H7F2NOS/c14-8-1-4-10(5-2-8)16-13(17)11-6-3-9(15)7-12(11)18-16/h1-7H
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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 phosphomannose isomerase (unknown origin)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447413
PNG
(CHEMBL3115157)
Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as substrate after 3...


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
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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PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
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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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447424
PNG
(CHEMBL3115139)
Show SMILES Oc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Show InChI InChI=1S/C19H21N3O6S/c23-14-5-3-13(4-6-14)9-11-20-18(24)2-1-10-21-29(26,27)15-7-8-16-17(12-15)28-19(25)22-16/h3-8,12,21,23H,1-2,9-11H2,(H,20,24)(H,22,25)
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PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46628
PNG
(2-(2,3-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...)
Show SMILES Cc1cccc(c1C)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C15H12FNOS/c1-9-4-3-5-13(10(9)2)17-15(18)12-7-6-11(16)8-14(12)19-17/h3-8H,1-2H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Mus musculus)
BDBM50447456
PNG
(CHEMBL3115160)
Show SMILES O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C16H12N4O5S/c17-8-10-1-3-11(4-2-10)19-15(21)9-18-26(23,24)12-5-6-13-14(7-12)25-16(22)20-13/h1-7,18H,9H2,(H,19,21)(H,20,22)
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PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46695
PNG
(2-(3-chlorophenyl)-1,2-benzothiazol-3-one | MLS-03...)
Show SMILES Clc1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8ClNOS/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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PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46044
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid methy...)
Show SMILES COC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11NO3S/c1-19-15(18)10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)20-16/h2-9H,1H3
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Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
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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Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
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