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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50002917   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(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
PDB

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n/an/a 210n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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))
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
PDB
MMDB

KEGG

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n/an/a 240n/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
Alkaline phosphatase, tissue-nonspecific isozyme


(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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n/an/a 280n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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)
PDB

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n/an/a 290n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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))
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)
PDB
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n/an/a 310n/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
Alkaline phosphatase, tissue-nonspecific isozyme


(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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n/an/a 330n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
PDB
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n/an/a 360n/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
Alkaline phosphatase, tissue-nonspecific isozyme


(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)
PDB

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n/an/a 380n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
PDB
MMDB

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n/an/a 430n/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))
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)
PDB
MMDB

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n/an/a 440n/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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50464739
PNG
(CHEMBL4285299)
Show SMILES CN(C)CCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C10H12F3N5OS/c1-17(2)4-3-14-8-16-18-7(19)5-6(10(11,12)13)15-9(18)20-8/h5H,3-4H2,1-2H3,(H,14,16)
PDB

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n/an/a 450n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
PDB
MMDB

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n/an/a 460n/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))
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
PDB
MMDB

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n/an/a 480n/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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
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n/an/a 480n/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
Alkaline phosphatase, tissue-nonspecific isozyme


(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
PDB

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n/an/a 520n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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
PDB

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n/an/a 520n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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
PDB

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n/an/a 540n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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
PDB

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n/an/a 560n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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)
PDB

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n/an/a 610n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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
PDB

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n/an/a 620n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a 680n/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))
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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n/an/a 710n/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))
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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n/an/a 710n/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))
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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n/an/a 740n/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))
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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n/an/a 760n/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))
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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n/an/a 760n/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))
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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n/an/a 790n/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
Alkaline phosphatase, tissue-nonspecific isozyme


(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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n/an/a 880n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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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n/an/a 890n/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
Alkaline phosphatase, tissue-nonspecific isozyme


(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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n/an/a 930n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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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n/an/a 1.06E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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))
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
Alkaline phosphatase, tissue-nonspecific isozyme


(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 1.12E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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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n/an/a 1.15E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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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n/an/a 1.39E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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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n/an/a 1.44E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50464723
PNG
(CHEMBL4288640)
Show SMILES CCCCN(CCCC)c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C14H19F3N4OS/c1-3-5-7-20(8-6-4-2)13-19-21-11(22)9-10(14(15,16)17)18-12(21)23-13/h9H,3-8H2,1-2H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
Alkaline phosphatase, tissue-nonspecific isozyme


(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 1.58E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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))
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))
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50464718
PNG
(CHEMBL4287221)
Show SMILES CC(C)c1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1
Show InChI InChI=1S/C15H13F3N4OS/c1-8(2)9-3-5-10(6-4-9)19-13-21-22-12(23)7-11(15(16,17)18)20-14(22)24-13/h3-8H,1-2H3,(H,19,21)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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))
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
Alkaline phosphatase, tissue-nonspecific isozyme


(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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Article
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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 TNAP 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))
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50464715
PNG
(CHEMBL4277768)
Show SMILES COc1ccccc1-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C13H8F3N3O2S/c1-21-8-5-3-2-4-7(8)11-18-19-10(20)6-9(13(14,15)16)17-12(19)22-11/h2-6H,1H3
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n/an/a 3.48E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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))
BDBM50464739
PNG
(CHEMBL4285299)
Show SMILES CN(C)CCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C10H12F3N5OS/c1-17(2)4-3-14-8-16-18-7(19)5-6(10(11,12)13)15-9(18)20-8/h5H,3-4H2,1-2H3,(H,14,16)
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n/an/a 3.75E+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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50464727
PNG
(CHEMBL4285038)
Show SMILES CCOc1ccccc1-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C14H10F3N3O2S/c1-2-22-9-6-4-3-5-8(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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n/an/a 4.52E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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))
BDBM50464742
PNG
(CHEMBL4289643)
Show SMILES CCc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C14H10F3N3OS/c1-2-8-3-5-9(6-4-8)12-19-20-11(21)7-10(14(15,16)17)18-13(20)22-12/h3-7H,2H2,1H3
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n/an/a 4.55E+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))
BDBM50464723
PNG
(CHEMBL4288640)
Show SMILES CCCCN(CCCC)c1nn2c(nc(cc2=O)C(F)(F)F)s1
Show InChI InChI=1S/C14H19F3N4OS/c1-3-5-7-20(8-6-4-2)13-19-21-11(22)9-10(14(15,16)17)18-12(21)23-13/h9H,3-8H2,1-2H3
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n/an/a 4.63E+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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1 |r,c:5|
Show InChI InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1
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Article
PubMed
n/an/a 1.92E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of human TNAP 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
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