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Compile Data Set for Download or QSAR

Found 636 hits with Last Name = 'izumi' and Initial = 'm'   
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
Translocator protein


(Rattus norvegicus (rat))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.0726n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from rat PBR receptor


J Med Chem 52: 688-99 (2009)


Article DOI: 10.1021/jm8011855
BindingDB Entry DOI: 10.7270/Q2HX1CJP
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.0726n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50229593
PNG
(CHEMBL253596 | N-acetyl-N-(2-methoxycarbonylbenzyl...)
Show SMILES COC(=O)c1ccccc1CN(C(C)=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H21NO4/c1-17(25)24(16-18-10-6-7-13-20(18)23(26)27-2)21-14-8-9-15-22(21)28-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3
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0.0978n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50255877
PNG
(CHEMBL473435 | N-Fluoroacetyl-N-(2,5-dimethoxybenz...)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3
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0.180n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from rat PBR receptor


J Med Chem 52: 688-99 (2009)


Article DOI: 10.1021/jm8011855
BindingDB Entry DOI: 10.7270/Q2HX1CJP
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.242n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in human mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.242n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human PBR receptor


J Med Chem 52: 688-99 (2009)


Article DOI: 10.1021/jm8011855
BindingDB Entry DOI: 10.7270/Q2HX1CJP
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50229594
PNG
(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
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0.680n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50229596
PNG
(1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...)
Show SMILES CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50255877
PNG
(CHEMBL473435 | N-Fluoroacetyl-N-(2,5-dimethoxybenz...)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3
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0.997n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human PBR receptor


J Med Chem 52: 688-99 (2009)


Article DOI: 10.1021/jm8011855
BindingDB Entry DOI: 10.7270/Q2HX1CJP
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50229593
PNG
(CHEMBL253596 | N-acetyl-N-(2-methoxycarbonylbenzyl...)
Show SMILES COC(=O)c1ccccc1CN(C(C)=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H21NO4/c1-17(25)24(16-18-10-6-7-13-20(18)23(26)27-2)21-14-8-9-15-22(21)28-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in human mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50229594
PNG
(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in human mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50229596
PNG
(1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...)
Show SMILES CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in human mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50229594
PNG
(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
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2.20E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50229594
PNG
(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to GABA alpha-1-beta-1-gamma-2 receptor


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50229594
PNG
(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to GABA alpha-6-beta-2-gamma-2 receptor


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508496
PNG
(5-chloro-N-[(9S,9aS)-9-hydroxy-5-oxo-8,9,9a,10-tet...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3[C@@H](O)CCN3C(=O)c2c1 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508497
PNG
(5-chloro-N-[(9S,9aS)-9-hydroxy-5-oxo-8,9,9a,10-tet...)
Show SMILES O[C@H]1CCN2[C@H]1COc1ncc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cc1C2=O |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508503
PNG
(US11046710, Example 50 | methyl [(8R,9aR)-3-{[(5-c...)
Show SMILES COC(=O)N[C@@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1 |r|
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508500
PNG
(5-chloro-2-methoxy-N-[(8S,9aR)-8-methoxy-5-oxo-8,9...)
Show SMILES CO[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1 |r|
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508502
PNG
((8S,9aR)-3-{[(5-chloro-2-methoxyphenyl)sulfonyl]am...)
Show SMILES COC(=O)N[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275100
PNG
(US10221195, Example 42 | US9879032, Example 42)
Show SMILES CCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1
Show InChI InChI=1S/C18H18FN3O5S/c1-2-26-14-4-3-11(19)7-15(14)28(24,25)22-12-8-13-16(23)21-18(5-6-18)10-27-17(13)20-9-12/h3-4,7-9,22H,2,5-6,10H2,1H3,(H,21,23)
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n/an/a 0.600n/an/an/an/an/a25



Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...


US Patent US9879032 (2018)


BindingDB Entry DOI: 10.7270/Q2F76FKB
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508512
PNG
(2-ethoxy-5-fluoro-N-[(10aS)-7-oxo-7,8,10a,11-tetra...)
Show SMILES CCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3COC(=O)CN3Cc2c1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275100
PNG
(US10221195, Example 42 | US9879032, Example 42)
Show SMILES CCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1
Show InChI InChI=1S/C18H18FN3O5S/c1-2-26-14-4-3-11(19)7-15(14)28(24,25)22-12-8-13-16(23)21-18(5-6-18)10-27-17(13)20-9-12/h3-4,7-9,22H,2,5-6,10H2,1H3,(H,21,23)
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Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


US Patent US10221195 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2D83
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508498
PNG
(5-chloro-N-[(8S,9aR)-8-fluoro-5-oxo-8,9,9a,10-tetr...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@H](F)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508487
PNG
(US11046710, Example 30)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@H](O)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508489
PNG
(US11046710, Example 32)
Show SMILES O[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508491
PNG
(US11046710, Example 35)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@@H](O)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275101
PNG
(US10221195, Example 43 | US9879032, Example 43)
Show SMILES COc1ccc(CO)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1
Show InChI InChI=1S/C18H19N3O6S/c1-26-14-3-2-11(9-22)6-15(14)28(24,25)21-12-7-13-16(23)20-18(4-5-18)10-27-17(13)19-8-12/h2-3,6-8,21-22H,4-5,9-10H2,1H3,(H,20,23)
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Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...


US Patent US9879032 (2018)


BindingDB Entry DOI: 10.7270/Q2F76FKB
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275101
PNG
(US10221195, Example 43 | US9879032, Example 43)
Show SMILES COc1ccc(CO)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1
Show InChI InChI=1S/C18H19N3O6S/c1-26-14-3-2-11(9-22)6-15(14)28(24,25)21-12-7-13-16(23)20-18(4-5-18)10-27-17(13)19-8-12/h2-3,6-8,21-22H,4-5,9-10H2,1H3,(H,20,23)
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Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


US Patent US10221195 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2D83
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275093
PNG
(US10221195, Example 40 | US9879032, Example 35)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1
Show InChI InChI=1S/C17H16ClN3O5S/c1-25-13-3-2-10(18)6-14(13)27(23,24)21-11-7-12-15(22)20-17(4-5-17)9-26-16(12)19-8-11/h2-3,6-8,21H,4-5,9H2,1H3,(H,20,22)
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Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


US Patent US10221195 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2D83
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508506
PNG
(US11046710, Example 54)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3C[C@H](O)C(=O)N3Cc2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275093
PNG
(US10221195, Example 40 | US9879032, Example 35)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1
Show InChI InChI=1S/C17H16ClN3O5S/c1-25-13-3-2-10(18)6-14(13)27(23,24)21-11-7-12-15(22)20-17(4-5-17)9-26-16(12)19-8-11/h2-3,6-8,21H,4-5,9H2,1H3,(H,20,22)
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Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...


US Patent US9879032 (2018)


BindingDB Entry DOI: 10.7270/Q2F76FKB
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275087
PNG
(US10221195, Example 29 | US9879032, Example 29)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1 |r|
Show InChI InChI=1S/C16H16BrN3O6S/c1-25-13-3-2-9(17)4-14(13)27(23,24)20-10-5-12-15(22)19-11(7-21)8-26-16(12)18-6-10/h2-6,11,20-21H,7-8H2,1H3,(H,19,22)/t11-/m0/s1
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Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...


US Patent US9879032 (2018)


BindingDB Entry DOI: 10.7270/Q2F76FKB
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275087
PNG
(US10221195, Example 29 | US9879032, Example 29)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1 |r|
Show InChI InChI=1S/C16H16BrN3O6S/c1-25-13-3-2-9(17)4-14(13)27(23,24)20-10-5-12-15(22)19-11(7-21)8-26-16(12)18-6-10/h2-6,11,20-21H,7-8H2,1H3,(H,19,22)/t11-/m0/s1
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Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


US Patent US10221195 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2D83
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508488
PNG
(US11046710, Example 31)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@H](O)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508485
PNG
(US11046710, Example 28)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3CCCN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508513
PNG
(US11046710, Example 63)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3CNC(=O)CN3Cc2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508510
PNG
(5-chloro-2-methoxy-N-[(10aS)-7-oxo-7,8,9,10,10a, 1...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3CCCC(=O)N3Cc2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508507
PNG
(5-chloro-N-[(8S,9aS)-8-hydroxy-7-oxo-8,9,9a,10-tet...)
Show SMILES O[C@H]1C[C@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3CN2C1=O |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275067
PNG
(US10221195, Example 9 | US9879032, Example 13 | US...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCNC(=O)c2c1
Show InChI InChI=1S/C15H14ClN3O5S/c1-23-12-3-2-9(16)6-13(12)25(21,22)19-10-7-11-14(20)17-4-5-24-15(11)18-8-10/h2-3,6-8,19H,4-5H2,1H3,(H,17,20)
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Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...


US Patent US9879032 (2018)


BindingDB Entry DOI: 10.7270/Q2F76FKB
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275102
PNG
(US10221195, Example 44 | US9879032, Example 44)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC(NC(=O)c2c1)c1cccnc1
Show InChI InChI=1S/C20H17ClN4O5S/c1-29-17-5-4-13(21)7-18(17)31(27,28)25-14-8-15-19(26)24-16(11-30-20(15)23-10-14)12-3-2-6-22-9-12/h2-10,16,25H,11H2,1H3,(H,24,26)
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Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...


US Patent US9879032 (2018)


BindingDB Entry DOI: 10.7270/Q2F76FKB
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508493
PNG
(US11046710, Example 37)
Show SMILES O[C@@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275067
PNG
(US10221195, Example 9 | US9879032, Example 13 | US...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCNC(=O)c2c1
Show InChI InChI=1S/C15H14ClN3O5S/c1-23-12-3-2-9(16)6-13(12)25(21,22)19-10-7-11-14(20)17-4-5-24-15(11)18-8-10/h2-3,6-8,19H,4-5H2,1H3,(H,17,20)
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Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


US Patent US10221195 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2D83
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275102
PNG
(US10221195, Example 44 | US9879032, Example 44)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC(NC(=O)c2c1)c1cccnc1
Show InChI InChI=1S/C20H17ClN4O5S/c1-29-17-5-4-13(21)7-18(17)31(27,28)25-14-8-15-19(26)24-16(11-30-20(15)23-10-14)12-3-2-6-22-9-12/h2-10,16,25H,11H2,1H3,(H,24,26)
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Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


US Patent US10221195 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2D83
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508492
PNG
(US11046710, Example 36)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@@H](O)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275085
PNG
(US10221195, Example 27 | US9879032, Example 27)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1 |r|
Show InChI InChI=1S/C16H16ClN3O6S/c1-25-13-3-2-9(17)4-14(13)27(23,24)20-10-5-12-15(22)19-11(7-21)8-26-16(12)18-6-10/h2-6,11,20-21H,7-8H2,1H3,(H,19,22)/t11-/m0/s1
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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


US Patent US10221195 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2D83
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275085
PNG
(US10221195, Example 27 | US9879032, Example 27)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1 |r|
Show InChI InChI=1S/C16H16ClN3O6S/c1-25-13-3-2-9(17)4-14(13)27(23,24)20-10-5-12-15(22)19-11(7-21)8-26-16(12)18-6-10/h2-6,11,20-21H,7-8H2,1H3,(H,19,22)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/a25



Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...


US Patent US9879032 (2018)


BindingDB Entry DOI: 10.7270/Q2F76FKB
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508501
PNG
((8S,9aR)-3-({[5-chloro-2-(trifluoromethoxy)phenyl]...)
Show SMILES CC(=O)O[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275089
PNG
(US10221195, Example 31 | US9879032, Example 31)
Show SMILES OC[C@H]1COc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cc2C(=O)N1 |r|
Show InChI InChI=1S/C16H13ClF3N3O6S/c17-8-1-2-12(29-16(18,19)20)13(3-8)30(26,27)23-9-4-11-14(25)22-10(6-24)7-28-15(11)21-5-9/h1-5,10,23-24H,6-7H2,(H,22,25)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


US Patent US10221195 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2D83
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508490
PNG
(US11046710, Example 34)
Show SMILES O[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(F)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
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