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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'hasegawa' and Initial = 'f'   
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
Glucagon receptor


(Homo sapiens (Human))		BDBM50122102
PNG
(3-Cyano-4-hydroxy-benzoic acid [1-(2,3,5,6-tetrame...)
Show SMILES Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(c4)C#N)cccc23)c1C
Show InChI InChI=1S/C28H26N4O2/c1-17-12-18(2)20(4)25(19(17)3)16-32-11-10-24-22(6-5-7-26(24)32)15-30-31-28(34)21-8-9-27(33)23(13-21)14-29/h5-13,15,33H,16H2,1-4H3,(H,31,34)/b30-15+
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n/an/a 2.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human glucagon receptor

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a 5.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of glucagon-induced glucagon receptor-mediated cAMP production in rat hepatocytes after 15 mins by cAMP dynamic2 assay

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057824
PNG
(CHEMBL3326175)
Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17N3O6/c28-20-12-11-17(13-19(20)27(31)32)23(29)25-26-24(30)22-21(16-9-5-2-6-10-16)18(14-33-22)15-7-3-1-4-8-15/h1-14,28H,(H,25,29)(H,26,30)
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n/an/a 87n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057820
PNG
(CHEMBL3326174)
Show SMILES Oc1ccc(cc1C(F)(F)F)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H17F3N2O4/c26-25(27,28)19-13-17(11-12-20(19)31)23(32)29-30-24(33)22-21(16-9-5-2-6-10-16)18(14-34-22)15-7-3-1-4-8-15/h1-14,31H,(H,29,32)(H,30,33)
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n/an/a 160n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057813
PNG
(CHEMBL3326173)
Show SMILES Oc1ccc(cc1Br)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17BrN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
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n/an/a 270n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))		BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a 292n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of glucagon-induced glucagon receptor-mediated cAMP production in human hepatocytes after 15 mins by cAMP dynamic2 assay

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057806
PNG
(CHEMBL3326172)
Show SMILES Oc1ccc(cc1Cl)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17ClN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
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n/an/a 430n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057798
PNG
(CHEMBL3326170)
Show SMILES Oc1ccc(cn1)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H17N3O4/c27-19-12-11-17(13-24-19)22(28)25-26-23(29)21-20(16-9-5-2-6-10-16)18(14-30-21)15-7-3-1-4-8-15/h1-14H,(H,24,27)(H,25,28)(H,26,29)
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n/an/a 970n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GLP-1R (unknown origin)

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057800
PNG
(CHEMBL3326171)
Show SMILES Oc1ccc(cc1F)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17FN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057864
PNG
(CHEMBL3325456)
Show SMILES CCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N3O6/c1-2-3-13-4-6-14(7-5-13)16-10-11-30-19(16)21(27)23-22-20(26)15-8-9-18(25)17(12-15)24(28)29/h4-12,25H,2-3H2,1H3,(H,22,26)(H,23,27)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057817
PNG
(CHEMBL3326187)
Show SMILES CCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O6/c1-2-3-4-14-5-7-15(8-6-14)17-11-12-31-20(17)22(28)24-23-21(27)16-9-10-19(26)18(13-16)25(29)30/h5-13,26H,2-4H2,1H3,(H,23,27)(H,24,28)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057797
PNG
(CHEMBL3326165)
Show SMILES Oc1ccc(cc1)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-19-13-11-18(12-14-19)23(28)25-26-24(29)22-21(17-9-5-2-6-10-17)20(15-30-22)16-7-3-1-4-8-16/h1-15,27H,(H,25,28)(H,26,29)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057825
PNG
(CHEMBL3326176)
Show SMILES COc1cc(ccc1O)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H20N2O5/c1-31-21-14-18(12-13-20(21)28)24(29)26-27-25(30)23-22(17-10-6-3-7-11-17)19(15-32-23)16-8-4-2-5-9-16/h2-15,28H,1H3,(H,26,29)(H,27,30)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057831
PNG
(CHEMBL3326177)
Show SMILES Oc1ccc(cc1-c1ccccc1)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H22N2O4/c33-26-17-16-23(18-24(26)20-10-4-1-5-11-20)29(34)31-32-30(35)28-27(22-14-8-3-9-15-22)25(19-36-28)21-12-6-2-7-13-21/h1-19,33H,(H,31,34)(H,32,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307527
PNG
((R)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23+/m0/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307528
PNG
((S)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23-/m0/s1
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307526
PNG
((S)-2-(N-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)C(C)=O)cc1OC |r|
Show InChI InChI=1S/C24H35N5O5/c1-5-6-19(9-10-30)27-23-20(15(2)26-24(25)28-23)12-18-8-7-17(11-21(18)34-4)13-29(16(3)31)14-22(32)33/h7-8,11,19,30H,5-6,9-10,12-14H2,1-4H3,(H,32,33)(H3,25,26,27,28)/t19-/m0/s1
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307525
PNG
((S)-3-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CCC(O)=O)CC(F)F)cc1OC |r|
Show InChI InChI=1S/C25H37F2N5O4/c1-4-5-19(9-11-33)30-24-20(16(2)29-25(28)31-24)13-18-7-6-17(12-21(18)36-3)14-32(15-22(26)27)10-8-23(34)35/h6-7,12,19,22,33H,4-5,8-11,13-15H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t19-/m0/s1
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307524
PNG
((S)-3-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CCC(O)=O)cc1OC |r|
Show InChI InChI=1S/C25H39N5O4/c1-5-7-20(11-13-31)28-24-21(17(3)27-25(26)29-24)15-19-9-8-18(14-22(19)34-4)16-30(6-2)12-10-23(32)33/h8-9,14,20,31H,5-7,10-13,15-16H2,1-4H3,(H,32,33)(H3,26,27,28,29)/t20-/m0/s1
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307523
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)CC(F)(F)F)cc1OC |r|
Show InChI InChI=1S/C24H34F3N5O4/c1-4-5-18(8-9-33)30-22-19(15(2)29-23(28)31-22)11-17-7-6-16(10-20(17)36-3)12-32(13-21(34)35)14-24(25,26)27/h6-7,10,18,33H,4-5,8-9,11-14H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307522
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r|
Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307521
PNG
(2-((4-((2-amino-4-(butylamino)-6-methylpyrimidin-5...)
Show SMILES CCCCNc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC
Show InChI InChI=1S/C22H33N5O3/c1-5-7-10-24-21-18(15(3)25-22(23)26-21)12-17-9-8-16(11-19(17)30-4)13-27(6-2)14-20(28)29/h8-9,11H,5-7,10,12-14H2,1-4H3,(H,28,29)(H3,23,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307520
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC |r|
Show InChI InChI=1S/C24H37N5O4/c1-5-7-19(10-11-30)27-23-20(16(3)26-24(25)28-23)13-18-9-8-17(12-21(18)33-4)14-29(6-2)15-22(31)32/h8-9,12,19,30H,5-7,10-11,13-15H2,1-4H3,(H,31,32)(H3,25,26,27,28)/t19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50058003
PNG
(CHEMBL3326186)
Show SMILES CC(C)c1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N3O6/c1-12(2)13-3-5-14(6-4-13)16-9-10-30-19(16)21(27)23-22-20(26)15-7-8-18(25)17(11-15)24(28)29/h3-12,25H,1-2H3,(H,22,26)(H,23,27)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057859
PNG
(CHEMBL3326181)
Show SMILES Cc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O6/c1-11-2-4-12(5-3-11)14-8-9-28-17(14)19(25)21-20-18(24)13-6-7-16(23)15(10-13)22(26)27/h2-10,23H,1H3,(H,20,24)(H,21,25)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307524
PNG
((S)-3-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CCC(O)=O)cc1OC |r|
Show InChI InChI=1S/C25H39N5O4/c1-5-7-20(11-13-31)28-24-21(17(3)27-25(26)29-24)15-19-9-8-18(14-22(19)34-4)16-30(6-2)12-10-23(32)33/h8-9,14,20,31H,5-7,10-13,15-16H2,1-4H3,(H,32,33)(H3,26,27,28,29)/t20-/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-con...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307520
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC |r|
Show InChI InChI=1S/C24H37N5O4/c1-5-7-19(10-11-30)27-23-20(16(3)26-24(25)28-23)13-18-9-8-17(12-21(18)33-4)14-29(6-2)15-22(31)32/h8-9,12,19,30H,5-7,10-11,13-15H2,1-4H3,(H,31,32)(H3,25,26,27,28)/t19-/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-con...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307525
PNG
((S)-3-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CCC(O)=O)CC(F)F)cc1OC |r|
Show InChI InChI=1S/C25H37F2N5O4/c1-4-5-19(9-11-33)30-24-20(16(2)29-25(28)31-24)13-18-7-6-17(12-21(18)36-3)14-32(15-22(26)27)10-8-23(34)35/h6-7,12,19,22,33H,4-5,8-11,13-15H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t19-/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-con...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM307522
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r|
Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-con...

US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057863
PNG
(CHEMBL3326185)
Show SMILES CCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O6/c1-2-12-3-5-13(6-4-12)15-9-10-29-18(15)20(26)22-21-19(25)14-7-8-17(24)16(11-14)23(27)28/h3-11,24H,2H2,1H3,(H,21,25)(H,22,26)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057861
PNG
(CHEMBL3326183)
Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1occc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN3O6/c19-12-4-1-10(2-5-12)13-7-8-28-16(13)18(25)21-20-17(24)11-3-6-15(23)14(9-11)22(26)27/h1-9,23H,(H,20,24)(H,21,25)
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n/an/a 6.90E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50260354
PNG
(CHEMBL4082465)
Show SMILES CCCn1c(=O)n(-c2cc(OC)ccc2OC)c2nc(N)ccc2c1=O |(12.05,-23.57,;13.38,-24.34,;14.72,-23.56,;16.06,-24.33,;16.06,-25.87,;14.72,-26.64,;17.39,-26.63,;17.39,-28.17,;18.72,-28.93,;18.73,-30.47,;20.07,-31.23,;20.08,-32.77,;17.39,-31.25,;16.05,-30.48,;16.05,-28.94,;14.71,-28.17,;13.38,-28.94,;18.72,-25.87,;20.05,-26.63,;21.38,-25.87,;22.71,-26.63,;21.37,-24.32,;20.04,-23.56,;18.72,-24.33,;17.39,-23.55,;17.39,-22.01,)|
Show InChI InChI=1S/C18H20N4O4/c1-4-9-21-17(23)12-6-8-15(19)20-16(12)22(18(21)24)13-10-11(25-2)5-7-14(13)26-3/h5-8,10H,4,9H2,1-3H3,(H2,19,20)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant PDE4A1A using FAM-cAMP as substrate after 30 mins by fluorescence based spectrophotometric method

Bioorg Med Chem 25: 4506-4511 (2017)


Article DOI: 10.1016/j.bmc.2017.06.042
BindingDB Entry DOI: 10.7270/Q2J105M2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50260354
PNG
(CHEMBL4082465)
Show SMILES CCCn1c(=O)n(-c2cc(OC)ccc2OC)c2nc(N)ccc2c1=O |(12.05,-23.57,;13.38,-24.34,;14.72,-23.56,;16.06,-24.33,;16.06,-25.87,;14.72,-26.64,;17.39,-26.63,;17.39,-28.17,;18.72,-28.93,;18.73,-30.47,;20.07,-31.23,;20.08,-32.77,;17.39,-31.25,;16.05,-30.48,;16.05,-28.94,;14.71,-28.17,;13.38,-28.94,;18.72,-25.87,;20.05,-26.63,;21.38,-25.87,;22.71,-26.63,;21.37,-24.32,;20.04,-23.56,;18.72,-24.33,;17.39,-23.55,;17.39,-22.01,)|
Show InChI InChI=1S/C18H20N4O4/c1-4-9-21-17(23)12-6-8-15(19)20-16(12)22(18(21)24)13-10-11(25-2)5-7-14(13)26-3/h5-8,10H,4,9H2,1-3H3,(H2,19,20)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant PDE4A1A using FAM-cAMP as substrate after 30 mins by fluorescence based spectrophotometric method

Bioorg Med Chem 25: 4506-4511 (2017)


Article DOI: 10.1016/j.bmc.2017.06.042
BindingDB Entry DOI: 10.7270/Q2J105M2
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057834
PNG
(CHEMBL3326178)
Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1occc1-c1ccccc1
Show InChI InChI=1S/C18H13N3O6/c22-15-7-6-12(10-14(15)21(25)26)17(23)19-20-18(24)16-13(8-9-27-16)11-4-2-1-3-5-11/h1-10,22H,(H,19,23)(H,20,24)
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n/an/a 8.90E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057860
PNG
(CHEMBL3326182)
Show SMILES COc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O7/c1-28-13-5-2-11(3-6-13)14-8-9-29-17(14)19(25)21-20-18(24)12-4-7-16(23)15(10-12)22(26)27/h2-10,23H,1H3,(H,20,24)(H,21,25)
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n/an/a 9.30E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057849
PNG
(CHEMBL3326180)
Show SMILES Cc1cccc(c1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O6/c1-11-3-2-4-12(9-11)14-7-8-28-17(14)19(25)21-20-18(24)13-5-6-16(23)15(10-13)22(26)27/h2-10,23H,1H3,(H,20,24)(H,21,25)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057836
PNG
(CHEMBL3326179)
Show SMILES Cc1ccccc1-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O6/c1-11-4-2-3-5-13(11)14-8-9-28-17(14)19(25)21-20-18(24)12-6-7-16(23)15(10-12)22(26)27/h2-10,23H,1H3,(H,20,24)(H,21,25)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)		BDBM50057862
PNG
(CHEMBL3326184)
Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1occc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12ClN3O6/c19-12-4-1-10(2-5-12)13-7-8-28-16(13)18(25)21-20-17(24)11-3-6-15(23)14(9-11)22(26)27/h1-9,23H,(H,20,24)(H,21,25)
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n/an/a 2.70E+5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting

Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM307520
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC |r|
Show InChI InChI=1S/C24H37N5O4/c1-5-7-19(10-11-30)27-23-20(16(3)26-24(25)28-23)13-18-9-8-17(12-21(18)33-4)14-29(6-2)15-22(31)32/h8-9,12,19,30H,5-7,10-11,13-15H2,1-4H3,(H,31,32)(H3,25,26,27,28)/t19-/m0/s1
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n/an/an/an/a 6.80E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...

US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM307521
PNG
(2-((4-((2-amino-4-(butylamino)-6-methylpyrimidin-5...)
Show SMILES CCCCNc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC
Show InChI InChI=1S/C22H33N5O3/c1-5-7-10-24-21-18(15(3)25-22(23)26-21)12-17-9-8-16(11-19(17)30-4)13-27(6-2)14-20(28)29/h8-9,11H,5-7,10,12-14H2,1-4H3,(H,28,29)(H3,23,24,25,26)
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n/an/an/an/a 6.10E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...

US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM307522
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r|
Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1
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n/an/an/an/a 7.10E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...

US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM307523
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)CC(F)(F)F)cc1OC |r|
Show InChI InChI=1S/C24H34F3N5O4/c1-4-5-18(8-9-33)30-22-19(15(2)29-23(28)31-22)11-17-7-6-16(10-20(17)36-3)12-32(13-21(34)35)14-24(25,26)27/h6-7,10,18,33H,4-5,8-9,11-14H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t18-/m0/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...

US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM307525
PNG
((S)-3-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CCC(O)=O)CC(F)F)cc1OC |r|
Show InChI InChI=1S/C25H37F2N5O4/c1-4-5-19(9-11-33)30-24-20(16(2)29-25(28)31-24)13-18-7-6-17(12-21(18)36-3)14-32(15-22(26)27)10-8-23(34)35/h6-7,12,19,22,33H,4-5,8-11,13-15H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t19-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...

US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM307526
PNG
((S)-2-(N-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)C(C)=O)cc1OC |r|
Show InChI InChI=1S/C24H35N5O5/c1-5-6-19(9-10-30)27-23-20(15(2)26-24(25)28-23)12-18-8-7-17(11-21(18)34-4)13-29(16(3)31)14-22(32)33/h7-8,11,19,30H,5-6,9-10,12-14H2,1-4H3,(H,32,33)(H3,25,26,27,28)/t19-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...

US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM307527
PNG
((R)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23+/m0/s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...

US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM307528
PNG
((S)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23-/m0/s1
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n/an/an/an/a 6.70E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...

US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM307529
PNG
((S)-3-((3-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN(CC)CC(O)=O)cc1OC |r|
Show InChI InChI=1S/C26H41N5O5/c1-5-8-20(11-13-32)29-25-22(18(3)28-26(27)30-25)15-19-9-10-21(16-23(19)35-4)36-14-7-12-31(6-2)17-24(33)34/h9-10,16,20,32H,5-8,11-15,17H2,1-4H3,(H,33,34)(H3,27,28,29,30)/t20-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...

US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
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