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Patent code US9879032

Compile Data Set for Download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
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)
BDBM275100
PNG
(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)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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n/an/a 0.600n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275101
PNG
(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)
KEGG

UniProtKB/SwissProt

DrugBank
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n/an/a 1n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275093
PNG
(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)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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UniChem
n/an/a 1.10n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275087
PNG
(US9879032, Example 29)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1
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
KEGG

UniProtKB/SwissProt

DrugBank
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n/an/a 1.20n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275067
PNG
(US9879032, Example 13 | US9879032, Example 9)
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)
KEGG

UniProtKB/SwissProt

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UniChem
n/an/a 1.40n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275102
PNG
(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)
KEGG

UniProtKB/SwissProt

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UniChem
n/an/a 1.40n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275085
PNG
(US9879032, Example 27)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1
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
KEGG

UniProtKB/SwissProt

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UniChem
n/an/a 1.5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275089
PNG
(US9879032, Example 31)
Show SMILES OC[C@H]1COc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cc2C(=O)N1
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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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UniChem
n/an/a 1.60n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275080
PNG
(US9879032, Example 22)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H](C)NC(=O)c2c1
Show InChI InChI=1S/C16H16ClN3O5S/c1-9-8-25-16-12(15(21)19-9)6-11(7-18-16)20-26(22,23)14-5-10(17)3-4-13(14)24-2/h3-7,9,20H,8H2,1-2H3,(H,19,21)/t9-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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UniChem
n/an/a 1.70n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275083
PNG
(US9879032, Example 25)
Show SMILES CC[C@H]1COc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)N1
Show InChI InChI=1S/C17H18ClN3O5S/c1-3-11-9-26-17-13(16(22)20-11)7-12(8-19-17)21-27(23,24)15-6-10(18)4-5-14(15)25-2/h4-8,11,21H,3,9H2,1-2H3,(H,20,22)/t11-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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UniChem
n/an/a 1.70n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275098
PNG
(US9879032, Example 40)
Show SMILES FC(F)(F)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1
Show InChI InChI=1S/C17H13ClF3N3O5S/c18-9-1-2-12(29-17(19,20)21)13(5-9)30(26,27)24-10-6-11-14(25)23-16(3-4-16)8-28-15(11)22-7-10/h1-2,5-7,24H,3-4,8H2,(H,23,25)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 1.90n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275091
PNG
(US9879032, Example 33)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H](CCO)NC(=O)c2c1
Show InChI InChI=1S/C17H18ClN3O6S/c1-26-14-3-2-10(18)6-15(14)28(24,25)21-12-7-13-16(23)20-11(4-5-22)9-27-17(13)19-8-12/h2-3,6-8,11,21-22H,4-5,9H2,1H3,(H,20,23)/t11-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 1.90n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275094
PNG
(US9879032, Example 36)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1
Show InChI InChI=1S/C17H16FN3O5S/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)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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UniChem
n/an/a 2.20n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275099
PNG
(US9879032, Example 41)
Show SMILES Fc1ccc(OC(F)(F)F)c(c1)S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1
Show InChI InChI=1S/C17H13F4N3O5S/c18-9-1-2-12(29-17(19,20)21)13(5-9)30(26,27)24-10-6-11-14(25)23-16(3-4-16)8-28-15(11)22-7-10/h1-2,5-7,24H,3-4,8H2,(H,23,25)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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UniChem
n/an/a 2.70n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275067
PNG
(US9879032, Example 13 | US9879032, Example 9)
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)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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UniChem
n/an/a 3.40n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275081
PNG
(US9879032, Example 23)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@H](C)NC(=O)c2c1
Show InChI InChI=1S/C16H16FN3O5S/c1-9-8-25-16-12(15(21)19-9)6-11(7-18-16)20-26(22,23)14-5-10(17)3-4-13(14)24-2/h3-7,9,20H,8H2,1-2H3,(H,19,21)/t9-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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UniChem
n/an/a 3.5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275086
PNG
(US9879032, Example 28)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1
Show InChI InChI=1S/C16H16FN3O6S/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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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UniChem
n/an/a 3.60n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275088
PNG
(US9879032, Example 30)
Show SMILES COc1ccc(CO)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1
Show InChI InChI=1S/C17H19N3O7S/c1-26-14-3-2-10(7-21)4-15(14)28(24,25)20-11-5-13-16(23)19-12(8-22)9-27-17(13)18-6-11/h2-6,12,20-22H,7-9H2,1H3,(H,19,23)/t12-/m0/s1
KEGG

UniProtKB/SwissProt

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GoogleScholar
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UniChem
n/an/a 3.80n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275076
PNG
(US9879032, Example 18)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H](C)N(C)C(=O)c2c1
Show InChI InChI=1S/C17H18ClN3O5S/c1-10-9-26-16-13(17(22)21(10)2)7-12(8-19-16)20-27(23,24)15-6-11(18)4-5-14(15)25-3/h4-8,10,20H,9H2,1-3H3/t10-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 3.90n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275068
PNG
(US9879032, Example 10)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OCCNC(=O)c2c1
Show InChI InChI=1S/C15H14FN3O5S/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)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275090
PNG
(US9879032, Example 32)
Show SMILES OC[C@H]1COc2ncc(NS(=O)(=O)c3cc(F)ccc3OC(F)(F)F)cc2C(=O)N1
Show InChI InChI=1S/C16H13F4N3O6S/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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 4.10n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275069
PNG
(US9879032, Example 11)
Show SMILES COc1ccc(CO)cc1S(=O)(=O)Nc1cnc2OCCNC(=O)c2c1
Show InChI InChI=1S/C16H17N3O6S/c1-24-13-3-2-10(9-20)6-14(13)26(22,23)19-11-7-12-15(21)17-4-5-25-16(12)18-8-11/h2-3,6-8,19-20H,4-5,9H2,1H3,(H,17,21)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 4.80n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275064
PNG
(US9879032, Example 6)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCN(CCO)C(=O)c2c1
Show InChI InChI=1S/C17H18ClN3O6S/c1-26-14-3-2-11(18)8-15(14)28(24,25)20-12-9-13-16(19-10-12)27-7-5-21(4-6-22)17(13)23/h2-3,8-10,20,22H,4-7H2,1H3
KEGG

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n/an/a 6.10n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275074
PNG
(US9879032, Example 16)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC(C)N(C)C(=O)c2c1
Show InChI InChI=1S/C17H18ClN3O5S/c1-10-9-26-16-13(17(22)21(10)2)7-12(8-19-16)20-27(23,24)15-6-11(18)4-5-14(15)25-3/h4-8,10,20H,9H2,1-3H3
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n/an/a 6.20n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275045
PNG
(5-Chloro-2-methoxy-N-(4-methyl-5-oxo-2,3,4,5-tetra...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCN(C)C(=O)c2c1
Show InChI InChI=1S/C16H16ClN3O5S/c1-20-5-6-25-15-12(16(20)21)8-11(9-18-15)19-26(22,23)14-7-10(17)3-4-13(14)24-2/h3-4,7-9,19H,5-6H2,1-2H3
KEGG

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n/an/a 6.30n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275077
PNG
(US9879032, Example 19)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@H](C)N(C)C(=O)c2c1
Show InChI InChI=1S/C17H18FN3O5S/c1-10-9-26-16-13(17(22)21(10)2)7-12(8-19-16)20-27(23,24)15-6-11(18)4-5-14(15)25-3/h4-8,10,20H,9H2,1-3H3/t10-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275092
PNG
(US9879032, Example 34)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H](CC(=O)N(C)C)NC(=O)c2c1
Show InChI InChI=1S/C19H21ClN4O6S/c1-24(2)17(25)8-13-10-30-19-14(18(26)22-13)7-12(9-21-19)23-31(27,28)16-6-11(20)4-5-15(16)29-3/h4-7,9,13,23H,8,10H2,1-3H3,(H,22,26)/t13-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275082
PNG
(US9879032, Example 24)
Show SMILES CC[C@H]1COc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)N1C
Show InChI InChI=1S/C18H20ClN3O5S/c1-4-13-10-27-17-14(18(23)22(13)2)8-12(9-20-17)21-28(24,25)16-7-11(19)5-6-15(16)26-3/h5-9,13,21H,4,10H2,1-3H3/t13-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275084
PNG
(US9879032, Example 26)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@@H](NC(=O)c2c1)C(C)C
Show InChI InChI=1S/C18H20ClN3O5S/c1-10(2)14-9-27-18-13(17(23)21-14)7-12(8-20-18)22-28(24,25)16-6-11(19)4-5-15(16)26-3/h4-8,10,14,22H,9H2,1-3H3,(H,21,23)/t14-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275066
PNG
(US9879032, Example 8)
Show SMILES COc1ccc(CN2CCOc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C2=O)c(CO)c1
Show InChI InChI=1S/C24H24ClN3O7S/c1-33-19-5-3-15(16(9-19)14-29)13-28-7-8-35-23-20(24(28)30)11-18(12-26-23)27-36(31,32)22-10-17(25)4-6-21(22)34-2/h3-6,9-12,27,29H,7-8,13-14H2,1-2H3
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n/an/a 9.10n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275065
PNG
(US9879032, Example 7)
Show SMILES COCCN1CCOc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C1=O
Show InChI InChI=1S/C18H20ClN3O6S/c1-26-7-5-22-6-8-28-17-14(18(22)23)10-13(11-20-17)21-29(24,25)16-9-12(19)3-4-15(16)27-2/h3-4,9-11,21H,5-8H2,1-2H3
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n/an/a 10.7n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275075
PNG
(US9879032, Example 17)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OCC(C)N(C)C(=O)c2c1
Show InChI InChI=1S/C17H18FN3O5S/c1-10-9-26-16-13(17(22)21(10)2)7-12(8-19-16)20-27(23,24)15-6-11(18)4-5-14(15)25-3/h4-8,10,20H,9H2,1-3H3
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n/an/a 12.6n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275060
PNG
(US9879032, Example 2)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OCCN(C)C(=O)c2c1
Show InChI InChI=1S/C16H16FN3O5S/c1-20-5-6-25-15-12(16(20)21)8-11(9-18-15)19-26(22,23)14-7-10(17)3-4-13(14)24-2/h3-4,7-9,19H,5-6H2,1-2H3
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n/an/a 12.7n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275061
PNG
(US9879032, Example 3)
Show SMILES CCN1CCOc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C1=O
Show InChI InChI=1S/C17H18ClN3O5S/c1-3-21-6-7-26-16-13(17(21)22)9-12(10-19-16)20-27(23,24)15-8-11(18)4-5-14(15)25-2/h4-5,8-10,20H,3,6-7H2,1-2H3
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n/an/a 12.8n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275097
PNG
(US9879032, Example 39)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCN(c3cccnc3)C(=O)c2c1
Show InChI InChI=1S/C20H17ClN4O5S/c1-29-17-5-4-13(21)9-18(17)31(27,28)24-14-10-16-19(23-11-14)30-8-7-25(20(16)26)15-3-2-6-22-12-15/h2-6,9-12,24H,7-8H2,1H3
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n/an/a 13.2n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275070
PNG
(US9879032, Example 12)
Show SMILES COc1ccccc1S(=O)(=O)Nc1cnc2OCCNC(=O)c2c1
Show InChI InChI=1S/C15H15N3O5S/c1-22-12-4-2-3-5-13(12)24(20,21)18-10-8-11-14(19)16-6-7-23-15(11)17-9-10/h2-5,8-9,18H,6-7H2,1H3,(H,16,19)
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n/an/a 13.4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275103
PNG
(US9879032, Example 45)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC(NC(=O)c2c1)C(=O)N(C)C
Show InChI InChI=1S/C18H19ClN4O6S/c1-23(2)18(25)13-9-29-17-12(16(24)21-13)7-11(8-20-17)22-30(26,27)15-6-10(19)4-5-14(15)28-3/h4-8,13,22H,9H2,1-3H3,(H,21,24)
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n/an/a 14.6n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275062
PNG
(US9879032, Example 4)
Show SMILES CCN1CCOc2ncc(NS(=O)(=O)c3cc(F)ccc3OC)cc2C1=O
Show InChI InChI=1S/C17H18FN3O5S/c1-3-21-6-7-26-16-13(17(21)22)9-12(10-19-16)20-27(23,24)15-8-11(18)4-5-14(15)25-2/h4-5,8-10,20H,3,6-7H2,1-2H3
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n/an/a 22.9n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275096
PNG
(US9879032, Example 38)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCN(c3ccccn3)C(=O)c2c1
Show InChI InChI=1S/C20H17ClN4O5S/c1-29-16-6-5-13(21)10-17(16)31(27,28)24-14-11-15-19(23-12-14)30-9-8-25(20(15)26)18-4-2-3-7-22-18/h2-7,10-12,24H,8-9H2,1H3
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n/an/a 24.4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275104
PNG
(US9879032, Example 46)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC(NC(=O)c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H21ClN4O7S/c1-30-16-3-2-12(21)8-17(16)33(28,29)24-13-9-14-18(26)23-15(11-32-19(14)22-10-13)20(27)25-4-6-31-7-5-25/h2-3,8-10,15,24H,4-7,11H2,1H3,(H,23,26)
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n/an/a 25.2n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275078
PNG
(US9879032, Example 20)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@@H](C)N(C)C(=O)c2c1
Show InChI InChI=1S/C17H18ClN3O5S/c1-10-9-26-16-13(17(22)21(10)2)7-12(8-19-16)20-27(23,24)15-6-11(18)4-5-14(15)25-3/h4-8,10,20H,9H2,1-3H3/t10-/m1/s1
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n/an/a 27.1n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275072
PNG
(US9879032, Example 14)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC(C)CN(C)C(=O)c2c1
Show InChI InChI=1S/C17H18ClN3O5S/c1-10-9-21(2)17(22)13-7-12(8-19-16(13)26-10)20-27(23,24)15-6-11(18)4-5-14(15)25-3/h4-8,10,20H,9H2,1-3H3
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n/an/a 36.2n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275095
PNG
(US9879032, Example 37)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCN(c3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C21H18ClN3O5S/c1-29-18-8-7-14(22)11-19(18)31(27,28)24-15-12-17-20(23-13-15)30-10-9-25(21(17)26)16-5-3-2-4-6-16/h2-8,11-13,24H,9-10H2,1H3
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n/an/a 43.4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275079
PNG
(US9879032, Example 21)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@@H](C)N(C)C(=O)c2c1
Show InChI InChI=1S/C17H18FN3O5S/c1-10-9-26-16-13(17(22)21(10)2)7-12(8-19-16)20-27(23,24)15-6-11(18)4-5-14(15)25-3/h4-8,10,20H,9H2,1-3H3/t10-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275063
PNG
(US9879032, Example 5)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCN(C(C)C)C(=O)c2c1
Show InChI InChI=1S/C18H20ClN3O5S/c1-11(2)22-6-7-27-17-14(18(22)23)9-13(10-20-17)21-28(24,25)16-8-12(19)4-5-15(16)26-3/h4-5,8-11,21H,6-7H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 71.3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM275073
PNG
(US9879032, Example 15)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC(C)CN(C)C(=O)c2c1
Show InChI InChI=1S/C17H18FN3O5S/c1-10-9-21(2)17(22)13-7-12(8-19-16(13)26-10)20-27(23,24)15-6-11(18)4-5-14(15)25-3/h4-8,10,20H,9H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 95.7n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%