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Compile Data Set for Download or QSAR

Found 335 hits of ic50 for UniProtKB: P09923   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60796
PNG
(1-(4-morpholin-4-ylsulfonylphenyl)-3-[[(Z)-(3-oxid...)
Show SMILES Oc1ccc(C=NNC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1O |w:6.6|
Show InChI InChI=1S/C18H20N4O5S2/c23-16-6-1-13(11-17(16)24)12-19-21-18(28)20-14-2-4-15(5-3-14)29(25,26)22-7-9-27-10-8-22/h1-6,11-12,23-24H,7-10H2,(H2,20,21,28)
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n/an/a<195n/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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50248691
PNG
((1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O |r|
Show InChI InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
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n/an/a 262n/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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75772
PNG
(3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-2-benzopyran...)
Show SMILES Oc1cc(O)c2c(c1)cc(oc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-6,16-19H
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n/an/a 565n/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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50242280
PNG
((2S,3S,4S,5R,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-di...)
Show SMILES O[C@H]1[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-24,26-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
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n/an/a 891n/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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75747
PNG
(6-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)-3-methyl-...)
Show SMILES Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2F)c(=O)c1CCO
Show InChI InChI=1S/C16H15FN4O3/c1-9-10(6-7-22)15(24)21(20-9)16-18-13(8-14(23)19-16)11-4-2-3-5-12(11)17/h2-5,8,20,22H,6-7H2,1H3,(H,18,19,23)
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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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237915
PNG
(CHEMBL4069435)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
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n/an/a 1.11E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50248691
PNG
((1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O |r|
Show InChI InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
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n/an/a 1.19E+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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM41873
PNG
(2-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-1,3-dioxo-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Show InChI InChI=1S/C15H8N4O5/c20-12-8-4-3-7(14(22)23)6-9(8)13(21)19(12)15-16-11(17-18-15)10-2-1-5-24-10/h1-6H,(H,22,23)(H,16,17,18)
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n/an/a 1.23E+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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM39617
PNG
(3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-benzop...)
Show SMILES CNc1nnc(s1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H9N3O2S/c1-13-12-15-14-10(18-12)8-6-7-4-2-3-5-9(7)17-11(8)16/h2-6H,1H3,(H,13,15)
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n/an/a 1.29E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237946
PNG
(CHEMBL4105082)
Show SMILES Cc1cc(=O)oc2cc(OS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc12
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n/an/a 1.33E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR)


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76193
PNG
((2Z)-2-[2-[2-(3-methoxy-3-oxidanylidene-propyliden...)
Show SMILES COC(=O)CC=NNC1=NC(=O)C(S1)=CC(O)=O |w:6.6,14.15,t:8|
Show InChI InChI=1S/C9H9N3O5S/c1-17-7(15)2-3-10-12-9-11-8(16)5(18-9)4-6(13)14/h3-4H,2H2,1H3,(H,13,14)(H,11,12,16)
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n/an/a 1.74E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM39617
PNG
(3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-benzop...)
Show SMILES CNc1nnc(s1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H9N3O2S/c1-13-12-15-14-10(18-12)8-6-7-4-2-3-5-9(7)17-11(8)16/h2-6H,1H3,(H,13,15)
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n/an/a 1.76E+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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM69390
PNG
(2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6](-[#8]-c12)-c1ccc(-[#8])c(-[#8])c1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-5-13-15(21)8-6-14-17(23)10-19(25-20(13)14)12-4-7-16(22)18(24)9-12/h3-4,6-9,19,21-22,24H,5,10H2,1-2H3
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n/an/a 1.97E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76251
PNG
(1-(4-phenylbutyl)-3-[[(2S,5S)-5-[(4-phenylphenyl)m...)
Show SMILES O=C(NCCCCc1ccccc1)NC[C@@H]1CC[C@@H](Cc2ccc(cc2)-c2ccccc2)O1
Show InChI InChI=1S/C29H34N2O2/c32-29(30-20-8-7-11-23-9-3-1-4-10-23)31-22-28-19-18-27(33-28)21-24-14-16-26(17-15-24)25-12-5-2-6-13-25/h1-6,9-10,12-17,27-28H,7-8,11,18-22H2,(H2,30,31,32)/t27-,28-/m0/s1
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n/an/a 2.10E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76205
PNG
(4-Fluoro-N-[4-hydroxy-3-(1H-[1,2,4]triazol-3-ylsul...)
Show SMILES Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C15H13FN4O3S2/c1-9-6-10(16)2-5-14(9)25(22,23)20-11-3-4-12(21)13(7-11)24-15-17-8-18-19-15/h2-8,20-21H,1H3,(H,17,18,19)
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n/an/a 2.12E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237922
PNG
(CHEMBL4103420)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
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n/an/a 2.13E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 3-4 nM


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75772
PNG
(3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-2-benzopyran...)
Show SMILES Oc1cc(O)c2c(c1)cc(oc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-6,16-19H
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n/an/a 2.17E+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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237926
PNG
(CHEMBL4080152)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
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n/an/a 2.26E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75749
PNG
(2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1...)
Show SMILES Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2)c(=O)c1CCO
Show InChI InChI=1S/C16H16N4O3/c1-10-12(7-8-21)15(23)20(19-10)16-17-13(9-14(22)18-16)11-5-3-2-4-6-11/h2-6,9,19,21H,7-8H2,1H3,(H,17,18,22)
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n/an/a 2.36E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237918
PNG
(CHEMBL4093867)
Show SMILES Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12
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n/an/a 2.72E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237964
PNG
(CHEMBL4090465)
Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
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n/an/a 2.81E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75749
PNG
(2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1...)
Show SMILES Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2)c(=O)c1CCO
Show InChI InChI=1S/C16H16N4O3/c1-10-12(7-8-21)15(23)20(19-10)16-17-13(9-14(22)18-16)11-5-3-2-4-6-11/h2-6,9,19,21H,7-8H2,1H3,(H,17,18,22)
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n/an/a 2.82E+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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237923
PNG
(CHEMBL4075025)
Show SMILES CCS(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)CC
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n/an/a 2.87E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Ability to block progesterone induced alkaline phosphatase activity in T47D human breast cancer cell line


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237966
PNG
(CHEMBL4078377)
Show SMILES CCCCCCCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1[N+]([O-])=O
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n/an/a 3.06E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM54140
PNG
(MLS001043248 | N-[(5Z)-4-keto-5-(2-ketoindolin-3-y...)
Show SMILES O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C18H11N3O3S2/c22-15(10-6-2-1-3-7-10)20-21-17(24)14(26-18(21)25)13-11-8-4-5-9-12(11)19-16(13)23/h1-9H,(H,19,23)(H,20,22)/b14-13-
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n/an/a 3.09E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237924
PNG
(CHEMBL4102277)
Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
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n/an/a 3.12E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50242280
PNG
((2S,3S,4S,5R,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-di...)
Show SMILES O[C@H]1[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-24,26-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
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n/an/a 3.15E+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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237920
PNG
(CHEMBL4087225)
Show SMILES Cc1cc(=O)oc2c(OS(=O)(=O)c3cc(Cl)ccc3Cl)c(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
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n/an/a 3.21E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR)


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237928
PNG
(CHEMBL4084312)
Show SMILES CCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
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n/an/a 3.22E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60858
PNG
(4-[2-(1-naphthalenylamino)-4-thiazolyl]benzene-1,2...)
Show SMILES Oc1ccc(cc1O)-c1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C19H14N2O2S/c22-17-9-8-13(10-18(17)23)16-11-24-19(21-16)20-15-7-3-5-12-4-1-2-6-14(12)15/h1-11,22-23H,(H,20,21)
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n/an/a 3.36E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50538
PNG
(8,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one...)
Show SMILES Oc1cc2oc3c(c2cc1O)c(=O)oc1ccccc31
Show InChI InChI=1S/C15H8O5/c16-9-5-8-12(6-10(9)17)19-14-7-3-1-2-4-11(7)20-15(18)13(8)14/h1-6,16-17H
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n/an/a 3.52E+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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76189
PNG
((5-chloranyl-2-oxidanylidene-1,3-benzoxathiol-6-yl...)
Show SMILES Clc1cc2sc(=O)oc2cc1OC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H14ClNO4S/c15-9-6-12-11(20-14(18)21-12)7-10(9)19-13(17)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
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n/an/a 3.54E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237941
PNG
(CHEMBL4073985)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(C)(=O)=O)ccc12
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n/an/a 3.58E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237925
PNG
(CHEMBL4103223)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
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n/an/a 3.59E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM61881
PNG
(MLS001158749 | N-(1,1-diketothiolan-3-yl)-N-ethyl-...)
Show SMILES CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H20N2O5S3/c1-3-18(12-6-8-27(22,23)10-12)15(20)11(2)19-16(21)14(26-17(19)25)9-13-5-4-7-24-13/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3/b14-9-
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n/an/a 3.79E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237947
PNG
(CHEMBL4083749)
Show SMILES Cc1ccc(cc1S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O
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n/an/a 3.91E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237917
PNG
(CHEMBL4059741)
Show SMILES CCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
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n/an/a 4.06E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Ability to block progesterone induced alkaline phosphatase activity in T47D human breast cancer cell line


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76173
PNG
(1-(3,5-Dimethyl-phenyl)-3-(9-thiophen-2-ylmethyl-9...)
Show SMILES [H]C12CCCC([H])(CC(C1)NC(=S)Nc1cc(C)cc(C)c1)N2Cc1cccs1
Show InChI InChI=1S/C22H29N3S2/c1-15-9-16(2)11-17(10-15)23-22(26)24-18-12-19-5-3-6-20(13-18)25(19)14-21-7-4-8-27-21/h4,7-11,18-20H,3,5-6,12-14H2,1-2H3,(H2,23,24,26)
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n/an/a 4.06E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237965
PNG
(CHEMBL4068298)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12
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n/an/a 4.06E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237921
PNG
(CHEMBL4065375)
Show SMILES CCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
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n/an/a 4.18E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 1273-2947 nM


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM53091
PNG
((2E)-5-nitro-6-oxidanyl-2-[(2Z)-2-(3-oxidanyl-4-ox...)
Show SMILES Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O
Show InChI InChI=1S/C12H8N3O6/c16-7-3-1-6(5-8(7)17)2-4-9-13-11(18)10(15(20)21)12(19)14-9/h1-5,17H,(H2,13,14,18,19)/q-1/p+1/b4-2+
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n/an/a 4.34E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 4.41E+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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60983
PNG
((E)-2-(3,4-dihydroxybenzoyl)-3-(4-hydroxy-3-iodo-5...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
Show InChI InChI=1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+
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n/an/a 4.56E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237939
PNG
(CHEMBL4077330)
Show SMILES Cc1cc(=O)oc2c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
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n/an/a 4.57E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76222
PNG
(MLS001072174 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H31ClN4O/c1-4-31-19(3)25(18(2)29-31)17-30-13-11-20(12-14-30)26(32)28-24-10-6-8-22(16-24)21-7-5-9-23(27)15-21/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,28,32)
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n/an/a 4.61E+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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237929
PNG
(CHEMBL4082634)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
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n/an/a 4.63E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237943
PNG
(CHEMBL4086241)
Show SMILES Cc1cc(=O)oc2c(c(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12)[N+]([O-])=O
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n/an/a 4.65E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM18073
PNG
((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Show SMILES N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
PDB
MMDB

KEGG

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B.MOAD
antibodypedia
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KEGG
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PC sid
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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of IAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
PDB
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KEGG

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CHEMBL
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KEGG
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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of IAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
More data for this
Ligand-Target Pair
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