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Compile Data Set for Download or QSAR

Found 855 hits with Last Name = 'miyahara' and Initial = 's'   
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
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50386618
PNG
(CHEMBL2048443)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(=O)OP(O)(=O)OCc1ccccc1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H23N2O13P3/c20-13-8-16(19-7-6-15(21)18-17(19)22)31-14(13)10-29-33(23,24)11-34(25,26)32-35(27,28)30-9-12-4-2-1-3-5-12/h1-7,13-14,16,20H,8-11H2,(H,23,24)(H,25,26)(H,27,28)(H,18,21,22)/t13-,14+,16+/m0/s1
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300n/an/an/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50173539
PNG
(1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C28H26N2O5/c31-23-18-26(30-17-16-25(32)29-27(30)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,31H,18-19H2,(H,29,32,33)
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1.80E+4n/an/an/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2


(Homo sapiens (Human))
BDBM477482
PNG
(5-bromo-2-(N-((1S,2R)-2-(6-fluoro-2,3-dimethylphen...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ncc(Br)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2V128RN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477482
PNG
(5-bromo-2-(N-((1S,2R)-2-(6-fluoro-2,3-dimethylphen...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ncc(Br)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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n/an/a 20n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101748
PNG
(CHEMBL2057911 | US8530490, 8)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H26FN3O6S/c1-14(16-5-6-17(21)18(11-16)30-12-15-3-4-15)23-31(27,28)10-2-9-29-13-24-8-7-19(25)22-20(24)26/h5-8,11,14-15,23H,2-4,9-10,12-13H2,1H3,(H,22,25,26)/t14-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391352
PNG
(CHEMBL2147981)
Show SMILES CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC(F)F)c1
Show InChI InChI=1S/C20H25F2N3O5S/c1-20(2,10-4-3-5-11-25-12-9-18(26)23-19(25)27)24-31(28,29)16-8-6-7-15(13-16)30-14-17(21)22/h3,5-9,12-13,17,24H,4,10-11,14H2,1-2H3,(H,23,26,27)/b5-3+
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n/an/a 26n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391350
PNG
(CHEMBL2147979)
Show SMILES CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C22H29N3O5S/c1-22(2,12-4-3-5-13-25-14-11-20(26)23-21(25)27)24-31(28,29)19-8-6-7-18(15-19)30-16-17-9-10-17/h3,5-8,11,14-15,17,24H,4,9-10,12-13,16H2,1-2H3,(H,23,26,27)/b5-3+
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n/an/a 28n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395031
PNG
(CHEMBL2163854)
Show SMILES CC[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C24H31N5O3/c1-2-19(20-6-5-8-22(14-20)32-17-18-9-10-18)16-29-21(15-25-27-29)7-3-4-12-28-13-11-23(30)26-24(28)31/h5-6,8,11,13-15,18-19H,2-4,7,9-10,12,16-17H2,1H3,(H,26,30,31)/t19-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477358
PNG
(6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-5-c...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c(n1)C(=O)N1CC2CCC(C1)O2)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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n/an/a 30n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101762
PNG
(US8530490, 22)
Show SMILES CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O6S/c1-2-18(16-6-7-17(22)19(12-16)31-13-15-4-5-15)24-32(28,29)11-3-10-30-14-25-9-8-20(26)23-21(25)27/h6-9,12,15,18,24H,2-5,10-11,13-14H2,1H3,(H,23,26,27)/t18-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101774
PNG
(US8530490, 34)
Show SMILES CCC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
Show InChI InChI=1S/C21H28FN3O6S/c1-2-18(16-6-7-17(22)19(12-16)31-13-15-4-5-15)24-32(28,29)11-3-10-30-14-25-9-8-20(26)23-21(25)27/h6-9,12,15,18,24H,2-5,10-11,13-14H2,1H3,(H,23,26,27)
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n/an/a 30n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477418
PNG
(US10889555, Example 200A | US10889555, Example 207...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2c1OCC[C@@]2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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n/an/a 30n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101762
PNG
(US8530490, 22)
Show SMILES CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O6S/c1-2-18(16-6-7-17(22)19(12-16)31-13-15-4-5-15)24-32(28,29)11-3-10-30-14-25-9-8-20(26)23-21(25)27/h6-9,12,15,18,24H,2-5,10-11,13-14H2,1H3,(H,23,26,27)/t18-/m1/s1
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n/an/a 30n/an/an/an/a7.437



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2


(Homo sapiens (Human))
BDBM477358
PNG
(6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-5-c...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c(n1)C(=O)N1CC2CCC(C1)O2)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2V128RN
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2


(Homo sapiens (Human))
BDBM601172
PNG
(US11634395, Example 200A | US11634395, Example 200...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2c1OCCC2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2V128RN
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101778
PNG
(US8530490, 38)
Show SMILES Fc1ccc(cc1OCC1CC1)[C@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccs1 |r|
Show InChI InChI=1S/C23H26FN3O6S2/c24-18-7-6-17(13-19(18)33-14-16-4-5-16)22(20-3-1-11-34-20)26-35(30,31)12-2-10-32-15-27-9-8-21(28)25-23(27)29/h1,3,6-9,11,13,16,22,26H,2,4-5,10,12,14-15H2,(H,25,28,29)/t22-/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391347
PNG
(CHEMBL2147976)
Show SMILES CC(C)(NS(=O)(=O)c1cccc(OC2CCCC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C25H29N3O5S/c1-25(2,19-12-10-18(11-13-19)17-28-15-14-23(29)26-24(28)30)27-34(31,32)22-9-5-8-21(16-22)33-20-6-3-4-7-20/h5,8-16,20,27H,3-4,6-7,17H2,1-2H3,(H,26,29,30)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391351
PNG
(CHEMBL2147980)
Show SMILES CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C23H31N3O5S/c1-23(2,14-6-3-7-15-26-16-13-21(27)24-22(26)28)25-32(29,30)20-12-8-11-19(17-20)31-18-9-4-5-10-18/h3,7-8,11-13,16-18,25H,4-6,9-10,14-15H2,1-2H3,(H,24,27,28)/b7-3+
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n/an/a 33n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101889
PNG
(CHEMBL2057599 | US8530490, 159)
Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C21H29N3O6S/c1-21(2,10-4-12-29-15-24-11-9-19(25)22-20(24)26)23-31(27,28)18-6-3-5-17(13-18)30-14-16-7-8-16/h3,5-6,9,11,13,16,23H,4,7-8,10,12,14-15H2,1-2H3,(H,22,25,26)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101889
PNG
(CHEMBL2057599 | US8530490, 159)
Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C21H29N3O6S/c1-21(2,10-4-12-29-15-24-11-9-19(25)22-20(24)26)23-31(27,28)18-6-3-5-17(13-18)30-14-16-7-8-16/h3,5-6,9,11,13,16,23H,4,7-8,10,12,14-15H2,1-2H3,(H,22,25,26)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101847
PNG
(CHEMBL2147985 | US8530490, 110)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H27N3O5S/c1-16(18-6-5-7-19(14-18)29-15-17-8-9-17)23-30(27,28)13-4-2-3-11-24-12-10-20(25)22-21(24)26/h2-3,5-7,10,12,14,16-17,23H,4,8-9,11,13,15H2,1H3,(H,22,25,26)/b3-2+/t16-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101763
PNG
(CHEMBL2057909 | US8530490, 23)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H27N3O6S/c1-15(17-4-2-5-18(12-17)29-13-16-6-7-16)22-30(26,27)11-3-10-28-14-23-9-8-19(24)21-20(23)25/h2,4-5,8-9,12,15-16,22H,3,6-7,10-11,13-14H2,1H3,(H,21,24,25)/t15-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477305
PNG
(US10889555, Example 39 | US11634395, Example 39)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)c(Cl)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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n/an/a 40n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477477
PNG
(US10889555, Example 245 | US11634395, Example 245)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ncc(Cl)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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n/an/a 40n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101749
PNG
(US8530490, 9)
Show SMILES CC(C)[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C22H30FN3O6S/c1-15(2)21(17-6-7-18(23)19(12-17)32-13-16-4-5-16)25-33(29,30)11-3-10-31-14-26-9-8-20(27)24-22(26)28/h6-9,12,15-16,21,25H,3-5,10-11,13-14H2,1-2H3,(H,24,27,28)/t21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101764
PNG
(US8530490, 24)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O6S/c1-15(16-7-8-18(22)19(13-16)31-17-5-2-3-6-17)24-32(28,29)12-4-11-30-14-25-10-9-20(26)23-21(25)27/h7-10,13,15,17,24H,2-6,11-12,14H2,1H3,(H,23,26,27)/t15-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101767
PNG
(US8530490, 27)
Show SMILES CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H29N3O6S/c1-2-19(17-5-3-6-18(13-17)30-14-16-7-8-16)23-31(27,28)12-4-11-29-15-24-10-9-20(25)22-21(24)26/h3,5-6,9-10,13,16,19,23H,2,4,7-8,11-12,14-15H2,1H3,(H,22,25,26)/t19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2


(Homo sapiens (Human))
BDBM477305
PNG
(US10889555, Example 39 | US11634395, Example 39)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)c(Cl)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2V128RN
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101837
PNG
(US8530490, 100)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H26FN3O5S/c1-15(17-7-8-18(22)19(13-17)30-14-16-5-6-16)24-31(28,29)12-4-2-3-10-25-11-9-20(26)23-21(25)27/h2-3,7-9,11,13,15-16,24H,4-6,10,12,14H2,1H3,(H,23,26,27)/b3-2+/t15-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM5563
PNG
(US8530490, 173 | US8530490, 175)
Show SMILES CC(C)(COCCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C21H29N3O6S/c1-21(2,15-29-12-4-10-24-11-9-19(25)22-20(24)26)23-31(27,28)18-6-3-5-17(13-18)30-14-16-7-8-16/h3,5-6,9,11,13,16,23H,4,7-8,10,12,14-15H2,1-2H3,(H,22,25,26)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101764
PNG
(US8530490, 24)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O6S/c1-15(16-7-8-18(22)19(13-16)31-17-5-2-3-6-17)24-32(28,29)12-4-11-30-14-25-10-9-20(26)23-21(25)27/h7-10,13,15,17,24H,2-6,11-12,14H2,1H3,(H,23,26,27)/t15-/m1/s1
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n/an/a 40n/an/an/an/a7.437



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101763
PNG
(CHEMBL2057909 | US8530490, 23)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H27N3O6S/c1-15(17-4-2-5-18(12-17)29-13-16-6-7-16)22-30(26,27)11-3-10-28-14-23-9-8-19(24)21-20(23)25/h2,4-5,8-9,12,15-16,22H,3,6-7,10-11,13-14H2,1H3,(H,21,24,25)/t15-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2


(Homo sapiens (Human))
BDBM477477
PNG
(US10889555, Example 245 | US11634395, Example 245)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ncc(Cl)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2V128RN
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101781
PNG
(US8530490, 41)
Show SMILES CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C22H31N3O6S/c1-2-20(17-7-5-10-19(15-17)31-18-8-3-4-9-18)24-32(28,29)14-6-13-30-16-25-12-11-21(26)23-22(25)27/h5,7,10-12,15,18,20,24H,2-4,6,8-9,13-14,16H2,1H3,(H,23,26,27)/t20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101842
PNG
(CHEMBL2147986 | US8530490, 105)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C22H29N3O5S/c1-17(18-8-7-11-20(16-18)30-19-9-3-4-10-19)24-31(28,29)15-6-2-5-13-25-14-12-21(26)23-22(25)27/h2,5,7-8,11-12,14,16-17,19,24H,3-4,6,9-10,13,15H2,1H3,(H,23,26,27)/b5-2+/t17-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477445
PNG
(US10889555, Example 222B | US10889555, Example 226...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2c1OCC[C@@]2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(Br)c1C |r|
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n/an/a 50n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477447
PNG
(5-fluoro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(F)c2c1OCC[C@]2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(Br)c1C |r|
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477459
PNG
(US10889555, Example 230B | US11634395, Example 230...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(F)c2[C@H](O)CCOc12)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101763
PNG
(CHEMBL2057909 | US8530490, 23)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H27N3O6S/c1-15(17-4-2-5-18(12-17)29-13-16-6-7-16)22-30(26,27)11-3-10-28-14-23-9-8-19(24)21-20(23)25/h2,4-5,8-9,12,15-16,22H,3,6-7,10-11,13-14H2,1H3,(H,21,24,25)/t15-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101847
PNG
(CHEMBL2147985 | US8530490, 110)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H27N3O5S/c1-16(18-6-5-7-19(14-18)29-15-17-8-9-17)23-30(27,28)13-4-2-3-11-24-12-10-20(25)22-21(24)26/h2-3,5-7,10,12,14,16-17,23H,4,8-9,11,13,15H2,1H3,(H,22,25,26)/b3-2+/t16-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2


(Homo sapiens (Human))
BDBM477519
PNG
(US10889555, Example 287 | US11634395, Example 287)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)cc1C(N)=S)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2V128RN
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2


(Homo sapiens (Human))
BDBM601197
PNG
(N-((1S,2R)-2-(3-bromo-6-fluoro-2-methylphenyl)-1-(...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2c1OCCC2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(Br)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2V128RN
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2


(Homo sapiens (Human))
BDBM601200
PNG
(5-fluoro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(F)c2c1OCCC2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(Br)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2V128RN
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2


(Homo sapiens (Human))
BDBM477459
PNG
(US10889555, Example 230B | US11634395, Example 230...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(F)c2[C@H](O)CCOc12)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2V128RN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477519
PNG
(US10889555, Example 287 | US11634395, Example 287)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)cc1C(N)=S)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101763
PNG
(CHEMBL2057909 | US8530490, 23)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H27N3O6S/c1-15(17-4-2-5-18(12-17)29-13-16-6-7-16)22-30(26,27)11-3-10-28-14-23-9-8-19(24)21-20(23)25/h2,4-5,8-9,12,15-16,22H,3,6-7,10-11,13-14H2,1H3,(H,21,24,25)/t15-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395047
PNG
(CHEMBL2163852)
Show SMILES C[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C23H29N5O3/c1-17(19-5-4-7-21(13-19)31-16-18-8-9-18)15-28-20(14-24-26-28)6-2-3-11-27-12-10-22(29)25-23(27)30/h4-5,7,10,12-14,17-18H,2-3,6,8-9,11,15-16H2,1H3,(H,25,29,30)/t17-/m0/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477350
PNG
(US10889555, Example 109 | US11634395, Example 109 ...)
Show SMILES COC(=O)c1nc(ccc1Cl)S(=O)(=O)N[C@@H]([C@H](C)c1c(F)ccc(C)c1C)c1n[nH]c(=O)o1 |r|
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477415
PNG
(5-chloro-2-(N-((1S,2R)-2-(6-fluoro-2,3-dimethylphe...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1cc(c(Cl)cc1C(N)=O)C(C)(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2


(Homo sapiens (Human))
BDBM477355
PNG
(5-chloro-N-((1S,2R) 2-(6-fluoro-2,3-dimethylphenyl...)
Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c(n1)C(=O)N1CCCC1)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r|
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived ...


US Patent US10889555 (2021)


BindingDB Entry DOI: 10.7270/Q2RR229N
More data for this
Ligand-Target Pair
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