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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 172.1
BDBM50080274
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Wt: 204.2
BDBM50241179
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Wt: 334.5
BDBM50253982
Wt: 273.3
BDBM50443973
Wt: 260.3
BDBM50443975
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Wt: 258.3
BDBM50443976
Wt: 303.3
BDBM50443974
Wt: 372.3
BDBM50447455
Wt: 372.3
BDBM50447456
Wt: 361.3
BDBM50447461
Wt: 358.3
BDBM50447462
Wt: 358.3
BDBM50447463
Wt: 242.2
BDBM50150070
Wt: 260.3
BDBM50150071
Wt: 258.2
BDBM50150089
Displayed 1 to 15 (of 64 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 75 hits in this display   
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
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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1.81E+3n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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1.60E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TNSALP (unknown origin)


Bioorg Med Chem Lett 19: 222-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.107
BindingDB Entry DOI: 10.7270/Q2CR5T64
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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1.60E+4n/an/an/an/an/an/a9.8n/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of human tissue non-specific alkaline phosphatase at pH 9.8


Bioorg Med Chem 17: 7290-300 (2009)


Article DOI: 10.1016/j.bmc.2009.08.048
BindingDB Entry DOI: 10.7270/Q2VM4CB4
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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9.30E+4n/an/an/an/an/an/an/an/a



Universit£ Claude Bernard-Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of recombinant TNAP


Bioorg Med Chem Lett 21: 2297-301 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.089
BindingDB Entry DOI: 10.7270/Q2V988CR
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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5.80E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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5.80E+5n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of human placental alkaline phosphatase using p-nitrophenyl phosphate substrate


Bioorg Med Chem 23: 4462-71 (2015)


Article DOI: 10.1016/j.bmc.2015.06.017
BindingDB Entry DOI: 10.7270/Q2R78GZ7
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3


(Bos taurus)
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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1.40E+6n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of bovine intestinal 5'-nucleotide phosphodiesterase using 4-nitrophenyl phenylphosphonate substrate by spectrophotometry


Bioorg Med Chem 23: 4462-71 (2015)


Article DOI: 10.1016/j.bmc.2015.06.017
BindingDB Entry DOI: 10.7270/Q2R78GZ7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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3.00E+6n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using nPP substrate


Bioorg Med Chem 23: 4462-71 (2015)


Article DOI: 10.1016/j.bmc.2015.06.017
BindingDB Entry DOI: 10.7270/Q2R78GZ7
More data for this
Ligand-Target Pair
Mandelate racemase (MR)


(Pseudomonas putida (g-Proteobacteria))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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3.60E+6n/an/an/an/an/an/a7.5n/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5


Bioorg Med Chem Lett 13: 2041-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00311-1
BindingDB Entry DOI: 10.7270/Q2XP75HB
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50253982
PNG
(CHEMBL461194 | N-(2-hydroxyethyl)-3-(2,3,4-trichlo...)
Show SMILES OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl3N3O2/c13-7-2-1-6(10(14)11(7)15)8-5-9(18-17-8)12(20)16-3-4-19/h1-2,5,19H,3-4H2,(H,16,20)(H,17,18)
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n/an/a 4.22n/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/Q2J38QXF
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50253982
PNG
(CHEMBL461194 | N-(2-hydroxyethyl)-3-(2,3,4-trichlo...)
Show SMILES OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl3N3O2/c13-7-2-1-6(10(14)11(7)15)8-5-9(18-17-8)12(20)16-3-4-19/h1-2,5,19H,3-4H2,(H,16,20)(H,17,18)
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n/an/a 5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TNSALP (unknown origin)


Bioorg Med Chem Lett 19: 222-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.107
BindingDB Entry DOI: 10.7270/Q2CR5T64
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50253982
PNG
(CHEMBL461194 | N-(2-hydroxyethyl)-3-(2,3,4-trichlo...)
Show SMILES OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl3N3O2/c13-7-2-1-6(10(14)11(7)15)8-5-9(18-17-8)12(20)16-3-4-19/h1-2,5,19H,3-4H2,(H,16,20)(H,17,18)
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n/an/a 7.44n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


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



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Phospholipase A-2-activating protein


(Homo sapiens)
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a>5.00E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a>5.00E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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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
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50253982
PNG
(CHEMBL461194 | N-(2-hydroxyethyl)-3-(2,3,4-trichlo...)
Show SMILES OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl3N3O2/c13-7-2-1-6(10(14)11(7)15)8-5-9(18-17-8)12(20)16-3-4-19/h1-2,5,19H,3-4H2,(H,16,20)(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of GAPDH (unknown origin)


Bioorg Med Chem Lett 19: 222-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.107
BindingDB Entry DOI: 10.7270/Q2CR5T64
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50253982
PNG
(CHEMBL461194 | N-(2-hydroxyethyl)-3-(2,3,4-trichlo...)
Show SMILES OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl3N3O2/c13-7-2-1-6(10(14)11(7)15)8-5-9(18-17-8)12(20)16-3-4-19/h1-2,5,19H,3-4H2,(H,16,20)(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of PLAP (unknown origin)


Bioorg Med Chem Lett 19: 222-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.107
BindingDB Entry DOI: 10.7270/Q2CR5T64
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a 1.92E+4n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a 1.92E+4n/an/an/an/a9.837



University of Karachi



Assay Description
Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us...


Bioorg Chem 71: 10-18 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.008
BindingDB Entry DOI: 10.7270/Q26Q1W36
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a 1.92E+4n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a 2.02E+4n/an/an/an/a9.837



COMSATS Institute of Information Technology



Assay Description
Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...


Bioorg Chem 70: 229-236 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.003
BindingDB Entry DOI: 10.7270/Q2K07334
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50447456
PNG
(CHEMBL3115160)
Show SMILES O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C16H12N4O5S/c17-8-10-1-3-11(4-2-10)19-15(21)9-18-26(23,24)12-5-6-13-14(7-12)25-16(22)20-13/h1-7,18H,9H2,(H,19,21)(H,20,22)
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n/an/a 8.10E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


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


(Homo sapiens)
BDBM50447463
PNG
(CHEMBL3115152)
Show SMILES O=C(Nc1cccc(c1)C#N)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C15H10N4O5S/c16-8-9-2-1-3-10(6-9)17-14(20)19-25(22,23)11-4-5-12-13(7-11)24-15(21)18-12/h1-7H,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


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


(Mus musculus)
BDBM50447463
PNG
(CHEMBL3115152)
Show SMILES O=C(Nc1cccc(c1)C#N)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C15H10N4O5S/c16-8-9-2-1-3-10(6-9)17-14(20)19-25(22,23)11-4-5-12-13(7-11)24-15(21)18-12/h1-7H,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


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


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


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


(Mus musculus)
BDBM50447462
PNG
(CHEMBL3115153)
Show SMILES O=C(Nc1ccc(cc1)C#N)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C15H10N4O5S/c16-8-9-1-3-10(4-2-9)17-14(20)19-25(22,23)11-5-6-12-13(7-11)24-15(21)18-12/h1-7H,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


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


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


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


(Mus musculus)
BDBM50447461
PNG
(CHEMBL3115154)
Show SMILES Cc1ccc(C)c(NC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C16H15N3O5S/c1-9-3-4-10(2)13(7-9)17-15(20)19-25(22,23)11-5-6-12-14(8-11)24-16(21)18-12/h3-8H,1-2H3,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


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


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


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


(Mus musculus)
BDBM50447455
PNG
(CHEMBL3114959)
Show SMILES O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C16H12N4O5S/c17-8-10-2-1-3-11(6-10)19-15(21)9-18-26(23,24)12-4-5-13-14(7-12)25-16(22)20-13/h1-7,18H,9H2,(H,19,21)(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50447463
PNG
(CHEMBL3115152)
Show SMILES O=C(Nc1cccc(c1)C#N)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C15H10N4O5S/c16-8-9-2-1-3-10(6-9)17-14(20)19-25(22,23)11-4-5-12-13(7-11)24-15(21)18-12/h1-7H,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50447462
PNG
(CHEMBL3115153)
Show SMILES O=C(Nc1ccc(cc1)C#N)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C15H10N4O5S/c16-8-9-1-3-10(4-2-9)17-14(20)19-25(22,23)11-5-6-12-13(7-11)24-15(21)18-12/h1-7H,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50447461
PNG
(CHEMBL3115154)
Show SMILES Cc1ccc(C)c(NC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C16H15N3O5S/c1-9-3-4-10(2)13(7-9)17-15(20)19-25(22,23)11-5-6-12-14(8-11)24-16(21)18-12/h3-8H,1-2H3,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50447455
PNG
(CHEMBL3114959)
Show SMILES O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C16H12N4O5S/c17-8-10-2-1-3-11(6-10)19-15(21)9-18-26(23,24)12-4-5-13-14(7-12)25-16(22)20-13/h1-7,18H,9H2,(H,19,21)(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


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


(Homo sapiens)
BDBM50447462
PNG
(CHEMBL3115153)
Show SMILES O=C(Nc1ccc(cc1)C#N)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C15H10N4O5S/c16-8-9-1-3-10(4-2-9)17-14(20)19-25(22,23)11-5-6-12-13(7-11)24-15(21)18-12/h1-7H,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


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


(Homo sapiens)
BDBM50447461
PNG
(CHEMBL3115154)
Show SMILES Cc1ccc(C)c(NC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C16H15N3O5S/c1-9-3-4-10(2)13(7-9)17-15(20)19-25(22,23)11-5-6-12-14(8-11)24-16(21)18-12/h3-8H,1-2H3,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


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


(Homo sapiens)
BDBM50447456
PNG
(CHEMBL3115160)
Show SMILES O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C16H12N4O5S/c17-8-10-1-3-11(4-2-10)19-15(21)9-18-26(23,24)12-5-6-13-14(7-12)25-16(22)20-13/h1-7,18H,9H2,(H,19,21)(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


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


(Homo sapiens)
BDBM50447455
PNG
(CHEMBL3114959)
Show SMILES O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C16H12N4O5S/c17-8-10-2-1-3-11(6-10)19-15(21)9-18-26(23,24)12-4-5-13-14(7-12)25-16(22)20-13/h1-7,18H,9H2,(H,19,21)(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


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


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


(Homo sapiens)
BDBM50150071
PNG
(CHEMBL3774946)
Show SMILES OC(Cn1ccsc1=N)c1cc2ccccc2o1
Show InChI InChI=1S/C13H12N2O2S/c14-13-15(5-6-18-13)8-10(16)12-7-9-3-1-2-4-11(9)17-12/h1-7,10,14,16H,8H2
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n/an/a>4.00E+5n/an/an/an/a10.4n/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of human placental alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 10.4 followed by subst...


Bioorg Med Chem Lett 26: 1457-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.061
BindingDB Entry DOI: 10.7270/Q23N2572
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a>4.00E+5n/an/an/an/a7.8n/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of bovine intestinal alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 7.8 followed by subs...


Bioorg Med Chem Lett 26: 1457-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.061
BindingDB Entry DOI: 10.7270/Q23N2572
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a>4.00E+5n/an/an/an/a10.4n/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of bovine intestinal alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 10.4 followed by sub...


Bioorg Med Chem Lett 26: 1457-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.061
BindingDB Entry DOI: 10.7270/Q23N2572
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM50150070
PNG
(CHEMBL3774470)
Show SMILES C1C(N=C2SC=CN12)c1cc2ccccc2o1
Show InChI InChI=1S/C13H10N2OS/c1-2-4-11-9(3-1)7-12(16-11)10-8-15-5-6-17-13(15)14-10/h1-7,10H,8H2
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Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of bovine intestinal alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 10.4 followed by sub...


Bioorg Med Chem Lett 26: 1457-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.061
BindingDB Entry DOI: 10.7270/Q23N2572
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50150089
PNG
(CHEMBL3774723)
Show SMILES N=c1sccn1CC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C13H10N2O2S/c14-13-15(5-6-18-13)8-10(16)12-7-9-3-1-2-4-11(9)17-12/h1-7,14H,8H2
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n/an/a>4.00E+5n/an/an/an/a7.8n/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of human placental alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 7.8 followed by substr...


Bioorg Med Chem Lett 26: 1457-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.061
BindingDB Entry DOI: 10.7270/Q23N2572
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Bos taurus (Cattle))
BDBM50150070
PNG
(CHEMBL3774470)
Show SMILES C1C(N=C2SC=CN12)c1cc2ccccc2o1
Show InChI InChI=1S/C13H10N2OS/c1-2-4-11-9(3-1)7-12(16-11)10-8-15-5-6-17-13(15)14-10/h1-7,10H,8H2
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n/an/a>4.00E+5n/an/an/an/a7.8n/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of bovine intestinal alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 7.8 followed by subs...


Bioorg Med Chem Lett 26: 1457-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.061
BindingDB Entry DOI: 10.7270/Q23N2572
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50443975
PNG
(CHEMBL3092296)
Show SMILES C1CN2CC(N=C2S1)c1cc2ccccc2s1
Show InChI InChI=1S/C13H12N2S2/c1-2-4-11-9(3-1)7-12(17-11)10-8-15-5-6-16-13(15)14-10/h1-4,7,10H,5-6,8H2
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n/an/a>4.00E+5n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of intestinal alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 7.8 incubat...


Bioorg Med Chem 21: 7981-7 (2013)


Article DOI: 10.1016/j.bmc.2013.09.053
BindingDB Entry DOI: 10.7270/Q23B61K9
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50443976
PNG
(CHEMBL3092295)
Show SMILES C1C(N=C2SC=CN12)c1cc2ccccc2s1
Show InChI InChI=1S/C13H10N2S2/c1-2-4-11-9(3-1)7-12(17-11)10-8-15-5-6-16-13(15)14-10/h1-7,10H,8H2
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n/an/a>4.00E+5n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of intestinal alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 7.8 incubat...


Bioorg Med Chem 21: 7981-7 (2013)


Article DOI: 10.1016/j.bmc.2013.09.053
BindingDB Entry DOI: 10.7270/Q23B61K9
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a>4.00E+5n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of intestinal alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 7.8 incubat...


Bioorg Med Chem 21: 7981-7 (2013)


Article DOI: 10.1016/j.bmc.2013.09.053
BindingDB Entry DOI: 10.7270/Q23B61K9
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50443973
PNG
(CHEMBL3092294)
Show SMILES Nc1ccc2sc(cc2c1)C1CN2C=CSC2=N1
Show InChI InChI=1S/C13H11N3S2/c14-9-1-2-11-8(5-9)6-12(18-11)10-7-16-3-4-17-13(16)15-10/h1-6,10H,7,14H2
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n/an/a>4.00E+5n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of placental alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 10.4 incubat...


Bioorg Med Chem 21: 7981-7 (2013)


Article DOI: 10.1016/j.bmc.2013.09.053
BindingDB Entry DOI: 10.7270/Q23B61K9
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
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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n/an/a>4.00E+5n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of placental alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 7.8 incubate...


Bioorg Med Chem 21: 7981-7 (2013)


Article DOI: 10.1016/j.bmc.2013.09.053
BindingDB Entry DOI: 10.7270/Q23B61K9
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50443974
PNG
(CHEMBL3092293)
Show SMILES [O-][N+](=O)c1ccc2sc(cc2c1)C1Cn2ccs[c+]2[N-]1
Show InChI InChI=1S/C13H9N3O2S2/c17-16(18)9-1-2-11-8(5-9)6-12(20-11)10-7-15-3-4-19-13(15)14-10/h1-6,10H,7H2
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n/an/a>4.00E+5n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of placental alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 10.4 incubat...


Bioorg Med Chem 21: 7981-7 (2013)


Article DOI: 10.1016/j.bmc.2013.09.053
BindingDB Entry DOI: 10.7270/Q23B61K9
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50443975
PNG
(CHEMBL3092296)
Show SMILES C1CN2CC(N=C2S1)c1cc2ccccc2s1
Show InChI InChI=1S/C13H12N2S2/c1-2-4-11-9(3-1)7-12(17-11)10-8-15-5-6-16-13(15)14-10/h1-4,7,10H,5-6,8H2
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PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of placental alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 10.4 incubat...


Bioorg Med Chem 21: 7981-7 (2013)


Article DOI: 10.1016/j.bmc.2013.09.053
BindingDB Entry DOI: 10.7270/Q23B61K9
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50443976
PNG
(CHEMBL3092295)
Show SMILES C1C(N=C2SC=CN12)c1cc2ccccc2s1
Show InChI InChI=1S/C13H10N2S2/c1-2-4-11-9(3-1)7-12(17-11)10-8-15-5-6-16-13(15)14-10/h1-7,10H,8H2
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KEGG

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of placental alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 10.4 incubat...


Bioorg Med Chem 21: 7981-7 (2013)


Article DOI: 10.1016/j.bmc.2013.09.053
BindingDB Entry DOI: 10.7270/Q23B61K9
More data for this
Ligand-Target Pair
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