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Compile Data Set for Download or QSAR

Found 382 hits of ic50 data for polymerid = 50003764   
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


(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)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464729
PNG
(CHEMBL4286917)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C13H5F6N3O2S/c14-12(15,16)8-5-9(23)22-11(20-8)25-10(21-22)6-1-3-7(4-2-6)24-13(17,18)19/h1-5H
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type 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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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)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464732
PNG
(CHEMBL4292485)
Show SMILES CCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C9H9F3N4OS/c1-2-3-13-7-15-16-6(17)4-5(9(10,11)12)14-8(16)18-7/h4H,2-3H2,1H3,(H,13,15)
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464717
PNG
(CHEMBL4292054)
Show SMILES Cc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C13H8F3N3OS/c1-7-2-4-8(5-3-7)11-18-19-10(20)6-9(13(14,15)16)17-12(19)21-11/h2-6H,1H3
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464734
PNG
(CHEMBL4284174)
Show SMILES FC(F)(F)c1cc(=O)n2nc(sc2n1)-c1ccccc1
Show InChI InChI=1S/C12H6F3N3OS/c13-12(14,15)8-6-9(19)18-11(16-8)20-10(17-18)7-4-2-1-3-5-7/h1-6H
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464716
PNG
(CHEMBL4283860)
Show SMILES COc1cccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)c1
Show InChI InChI=1S/C13H9F3N4O2S/c1-22-8-4-2-3-7(5-8)17-11-19-20-10(21)6-9(13(14,15)16)18-12(20)23-11/h2-6H,1H3,(H,17,19)
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464724
PNG
(CHEMBL4286723)
Show SMILES Cc1cc(C)cc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C14H10F3N3OS/c1-7-3-8(2)5-9(4-7)12-19-20-11(21)6-10(14(15,16)17)18-13(20)22-12/h3-6H,1-2H3
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464730
PNG
(CHEMBL4279537)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C12H5F3N4O3S/c13-12(14,15)8-5-9(20)18-11(16-8)23-10(17-18)6-2-1-3-7(4-6)19(21)22/h1-5H
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464736
PNG
(CHEMBL4291826)
Show SMILES COc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C13H8F3N3O2S/c1-21-8-4-2-7(3-5-8)11-18-19-10(20)6-9(13(14,15)16)17-12(19)22-11/h2-6H,1H3
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type 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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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)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464741
PNG
(CHEMBL4294808)
Show SMILES FC(F)(F)c1cccc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C13H5F6N3OS/c14-12(15,16)7-3-1-2-6(4-7)10-21-22-9(23)5-8(13(17,18)19)20-11(22)24-10/h1-5H
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464733
PNG
(CHEMBL4281863)
Show SMILES CCCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C10H11F3N4OS/c1-2-3-4-14-8-16-17-7(18)5-6(10(11,12)13)15-9(17)19-8/h5H,2-4H2,1H3,(H,14,16)
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464719
PNG
(CHEMBL4289799)
Show SMILES Nc1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1
Show InChI InChI=1S/C12H8F3N5OS/c13-12(14,15)8-5-9(21)20-11(18-8)22-10(19-20)17-7-3-1-6(16)2-4-7/h1-5H,16H2,(H,17,19)
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464728
PNG
(CHEMBL4281616)
Show SMILES Fc1cccc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C12H5F4N3OS/c13-7-3-1-2-6(4-7)10-18-19-9(20)5-8(12(14,15)16)17-11(19)21-10/h1-5H
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464725
PNG
(CHEMBL4288407)
Show SMILES COc1cc(OC)cc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C14H10F3N3O3S/c1-22-8-3-7(4-9(5-8)23-2)12-19-20-11(21)6-10(14(15,16)17)18-13(20)24-12/h3-6H,1-2H3
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464721
PNG
(CHEMBL4277341)
Show SMILES CCCCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C11H13F3N4OS/c1-2-3-4-5-15-9-17-18-8(19)6-7(11(12,13)14)16-10(18)20-9/h6H,2-5H2,1H3,(H,15,17)
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464726
PNG
(CHEMBL4292887)
Show SMILES CCOc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C14H10F3N3O2S/c1-2-22-9-5-3-8(4-6-9)12-19-20-11(21)7-10(14(15,16)17)18-13(20)23-12/h3-7H,2H2,1H3
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464720
PNG
(CHEMBL4281930)
Show SMILES FC(F)(F)c1cc(=O)n2nc(NCC=C)sc2n1
Show InChI InChI=1S/C9H7F3N4OS/c1-2-3-13-7-15-16-6(17)4-5(9(10,11)12)14-8(16)18-7/h2,4H,1,3H2,(H,13,15)
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Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type 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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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)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50467822
PNG
(CHEMBL4283809)
Show SMILES COc1cccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C16H13NO4S/c1-21-12-6-4-5-11(9-12)10-14-16(18)13-7-2-3-8-15(13)22(19,20)17-14/h2-10,17H,1H3/b14-10-
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n/an/a 1.04E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by sub...

Eur J Med Chem 159: 282-291 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.063
BindingDB Entry DOI: 10.7270/Q23N263P
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal-type 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
Show InChI InChI=1S/C17H10N2O7S/c1-10-14-7-4-12(8-16(14)25-17(20)15(10)9-18)26-27(23,24)13-5-2-11(3-6-13)19(21)22/h2-8H,1H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human IAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometri...

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


Article DOI: 10.1016/j.ejmech.2017.03.003
BindingDB Entry DOI: 10.7270/Q2MS3W2X
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464738
PNG
(CHEMBL4287459)
Show SMILES FC(F)(F)c1cc(=O)n2nc(sc2n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C13H5F3N4OS/c14-13(15,16)9-5-10(21)20-12(18-9)22-11(19-20)8-3-1-2-7(4-8)6-17/h1-5H
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n/an/a 1.12E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50467825
PNG
(CHEMBL4289564)
Show SMILES Oc1cccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C15H11NO4S/c17-11-5-3-4-10(8-11)9-13-15(18)12-6-1-2-7-14(12)21(19,20)16-13/h1-9,16-17H/b13-9-
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n/an/a 1.21E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by sub...

Eur J Med Chem 159: 282-291 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.063
BindingDB Entry DOI: 10.7270/Q23N263P
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50467828
PNG
(CHEMBL4294381)
Show SMILES COc1ccccc1\C=C1/NS(=O)(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO4S/c1-21-14-8-4-2-6-11(14)10-13-16(18)12-7-3-5-9-15(12)22(19,20)17-13/h2-10,17H,1H3/b13-10-
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by sub...

Eur J Med Chem 159: 282-291 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.063
BindingDB Entry DOI: 10.7270/Q23N263P
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50237946
PNG
(CHEMBL4105082)
Show SMILES Cc1cc(=O)oc2cc(OS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc12
Show InChI InChI=1S/C16H9Cl3O5S/c1-8-4-16(20)23-14-5-9(2-3-10(8)14)24-25(21,22)15-7-12(18)11(17)6-13(15)19/h2-7H,1H3
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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
BindingDB Entry DOI: 10.7270/Q2MS3W2X
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50467829
PNG
(CHEMBL4290987)
Show SMILES COc1ccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H13NO4S/c1-21-12-8-6-11(7-9-12)10-14-16(18)13-4-2-3-5-15(13)22(19,20)17-14/h2-10,17H,1H3/b14-10-
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n/an/a 1.53E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by sub...

Eur J Med Chem 159: 282-291 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.063
BindingDB Entry DOI: 10.7270/Q23N263P
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464740
PNG
(CHEMBL4284091)
Show SMILES FC(F)(F)c1cc(=O)n2nc(sc2n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H10F3N3OS/c19-18(20,21)14-10-15(25)24-17(22-14)26-16(23-24)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H
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n/an/a 1.67E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464735
PNG
(CHEMBL4281206)
Show SMILES Cc1ccc(cc1C)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C14H10F3N3OS/c1-7-3-4-9(5-8(7)2)12-19-20-11(21)6-10(14(15,16)17)18-13(20)22-12/h3-6H,1-2H3
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n/an/a 1.75E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50467824
PNG
(CHEMBL4287165)
Show SMILES O=C1\C(NS(=O)(=O)c2ccccc12)=C\c1ccccc1
Show InChI InChI=1S/C15H11NO3S/c17-15-12-8-4-5-9-14(12)20(18,19)16-13(15)10-11-6-2-1-3-7-11/h1-10,16H/b13-10-
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by sub...

Eur J Med Chem 159: 282-291 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.063
BindingDB Entry DOI: 10.7270/Q23N263P
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464731
PNG
(CHEMBL4295150)
Show SMILES CCOc1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1
Show InChI InChI=1S/C14H11F3N4O2S/c1-2-23-9-5-3-8(4-6-9)18-12-20-21-11(22)7-10(14(15,16)17)19-13(21)24-12/h3-7H,2H2,1H3,(H,18,20)
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n/an/a 2.02E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50237922
PNG
(CHEMBL4103420)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Show InChI InChI=1S/C17H13ClO6S/c1-10-14-8-5-12(9-15(14)23-17(19)16(10)18)24-25(20,21)13-6-3-11(22-2)4-7-13/h3-9H,1-2H3
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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
BindingDB Entry DOI: 10.7270/Q2MS3W2X
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50464722
PNG
(CHEMBL4280737)
Show SMILES CN(N)c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C7H6F3N5OS/c1-14(11)6-13-15-4(16)2-3(7(8,9)10)12-5(15)17-6/h2H,11H2,1H3
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n/an/a 2.22E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...

Eur J Med Chem 144: 116-127 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.068
BindingDB Entry DOI: 10.7270/Q2W66PDP
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50237926
PNG
(CHEMBL4080152)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
Show InChI InChI=1S/C17H9Cl2NO5S/c1-9-12-4-3-11(7-15(12)24-17(21)13(9)8-20)25-26(22,23)16-6-10(18)2-5-14(16)19/h2-7H,1H3
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n/an/a 2.26E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human IAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometri...

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


Article DOI: 10.1016/j.ejmech.2017.03.003
BindingDB Entry DOI: 10.7270/Q2MS3W2X
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50467830
PNG
(CHEMBL4287568)
Show SMILES Brc1cccc(\C=C2/NS(=O)(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C15H10BrNO3S/c16-11-5-3-4-10(8-11)9-13-15(18)12-6-1-2-7-14(12)21(19,20)17-13/h1-9,17H/b13-9-
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n/an/a 2.55E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by sub...

Eur J Med Chem 159: 282-291 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.063
BindingDB Entry DOI: 10.7270/Q23N263P
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50237918
PNG
(CHEMBL4093867)
Show SMILES Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12
Show InChI InChI=1S/C16H10ClNO7S/c1-9-6-16(19)24-15-7-10(2-4-12(9)15)25-26(22,23)11-3-5-13(17)14(8-11)18(20)21/h2-8H,1H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human IAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometri...

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


Article DOI: 10.1016/j.ejmech.2017.03.003
BindingDB Entry DOI: 10.7270/Q2MS3W2X
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))		BDBM50237964
PNG
(CHEMBL4090465)
Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
Show InChI InChI=1S/C19H23NO5S/c1-3-4-5-6-7-8-11-26(22,23)25-15-9-10-16-14(2)17(13-20)19(21)24-18(16)12-15/h9-10,12H,3-8,11H2,1-2H3
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n/an/a 2.81E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human IAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometri...

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


Article DOI: 10.1016/j.ejmech.2017.03.003
BindingDB Entry DOI: 10.7270/Q2MS3W2X
More data for this
Ligand-Target Pair
Intestinal-type 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)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
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