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Compile Data Set for Download or QSAR

Found 270 hits with Last Name = 'fushimi' and Initial = 'n'   
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
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 0.930n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of wild type human N-terminal GST-fusion tagged TRKB kinase domain (456 to 822 residues) expressed in baculovirus expression system by HTR...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126775
BindingDB Entry DOI: 10.7270/Q2Q243K6
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160321
PNG
(US9040693, 22)
Show SMILES OC(=O)c1scc2[nH]c(=O)n(-c3cc(ccc3Cl)S(=O)(=O)N3CCCc4ccccc34)c(=O)c12 |(-8.56,-1.78,;-7.02,-1.78,;-6.25,-3.11,;-6.25,-.44,;-7.15,.8,;-6.25,2.05,;-4.78,1.57,;-3.45,2.34,;-2.11,1.57,;-.78,2.34,;-2.11,.03,;-.78,-.74,;.55,.03,;1.89,-.74,;1.89,-2.28,;.55,-3.05,;-.78,-2.28,;-2.11,-3.05,;3.22,.03,;2.45,1.37,;3.99,-1.3,;4.55,.8,;4.55,2.34,;5.89,3.11,;7.22,2.34,;7.22,.8,;8.56,.03,;8.56,-1.51,;7.22,-2.28,;5.89,-1.51,;5.89,.03,;-3.45,-.74,;-3.45,-2.28,;-4.78,.03,)|
Show InChI InChI=1S/C22H16ClN3O6S2/c23-14-8-7-13(34(31,32)25-9-3-5-12-4-1-2-6-16(12)25)10-17(14)26-20(27)18-15(24-22(26)30)11-33-19(18)21(28)29/h1-2,4,6-8,10-11H,3,5,9H2,(H,24,30)(H,28,29)
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n/an/a 2n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of wild type human His-tagged TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system by HTRF assay

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126775
BindingDB Entry DOI: 10.7270/Q2Q243K6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50232542
PNG
(CHEMBL4090531 | US10323022, Example 135)
Show SMILES CCOc1nn(c(NC(=O)N[C@@H]2CN(CCOC)C[C@H]2c2ccc(F)c(F)c2)c1C)-c1ccccc1 |r|
Show InChI InChI=1S/C26H31F2N5O3/c1-4-36-25-17(2)24(33(31-25)19-8-6-5-7-9-19)30-26(34)29-23-16-32(12-13-35-3)15-20(23)18-10-11-21(27)22(28)14-18/h5-11,14,20,23H,4,12-13,15-16H2,1-3H3,(H2,29,30,34)/t20-,23+/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TrkA expressed in DHFR deficient CHO cells assessed as inhibition of human beta-nerve growth factor-induced calcium i...

Bioorg Med Chem Lett 27: 1233-1236 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.056
BindingDB Entry DOI: 10.7270/Q2TT4T51
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of TRKA E735A mutant (unknown origin) expressed in baculovirus infected sf9 cells assessed as kinase domain dimerization by HTRF assay

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126775
BindingDB Entry DOI: 10.7270/Q2Q243K6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of juxtamembrane region containing recombinant human N-terminal His6-tagged/GST-tagged TrkA (473 to 796 residues) expressed in baculovirus...

Bioorg Med Chem Lett 27: 1233-1236 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.056
BindingDB Entry DOI: 10.7270/Q2TT4T51
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559528
PNG
(CHEMBL3950588)
Show SMILES CCc1ccc(Cc2c(C)[nH]nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559538
PNG
(CHEMBL3908950)
Show SMILES CSc1ccc(Cc2c(C)[nH]nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
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n/an/a 4.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50232542
PNG
(CHEMBL4090531 | US10323022, Example 135)
Show SMILES CCOc1nn(c(NC(=O)N[C@@H]2CN(CCOC)C[C@H]2c2ccc(F)c(F)c2)c1C)-c1ccccc1 |r|
Show InChI InChI=1S/C26H31F2N5O3/c1-4-36-25-17(2)24(33(31-25)19-8-6-5-7-9-19)30-26(34)29-23-16-32(12-13-35-3)15-20(23)18-10-11-21(27)22(28)14-18/h5-11,14,20,23H,4,12-13,15-16H2,1-3H3,(H2,29,30,34)/t20-,23+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of juxtamembrane region containing recombinant human N-terminal His6-tagged/GST-tagged TrkA (473 to 796 residues) expressed in baculovirus...

Bioorg Med Chem Lett 27: 1233-1236 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.056
BindingDB Entry DOI: 10.7270/Q2TT4T51
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TrkB expressed in DHFR deficient CHO cells assessed as inhibition of human brain-derived neurotrophic factor-induced ...

Bioorg Med Chem Lett 27: 1233-1236 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.056
BindingDB Entry DOI: 10.7270/Q2TT4T51
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50394556
PNG
(CHEMBL2159100)
Show SMILES OC[C@H]1O[C@@H](Oc2[nH]nc(c2Cc2ccc(OCc3ccccc3)cc2)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C24H25F3N2O7/c25-24(26,27)21-16(10-13-6-8-15(9-7-13)34-12-14-4-2-1-3-5-14)22(29-28-21)36-23-20(33)19(32)18(31)17(11-30)35-23/h1-9,17-20,23,30-33H,10-12H2,(H,28,29)/t17-,18-,19+,20-,23+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction of [14C]-AMG uptake

Bioorg Med Chem 20: 6598-612 (2012)


Article DOI: 10.1016/j.bmc.2012.09.037
BindingDB Entry DOI: 10.7270/Q26D5V36
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TrkC expressed in DHFR deficient CHO cells assessed as inhibition of human neurotrophin-3-induced calcium influx by F...

Bioorg Med Chem Lett 27: 1233-1236 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.056
BindingDB Entry DOI: 10.7270/Q2TT4T51
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50426906
PNG
(CHEMBL2323692)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)CO)cc1 |r|
Show InChI InChI=1S/C27H41N3O8/c1-15(2)21-18(25(30-29-21)38-26-24(36)23(35)22(34)19(13-31)37-26)12-17-10-8-16(9-11-17)6-5-7-20(33)28-27(3,4)14-32/h8-11,15,19,22-24,26,31-32,34-36H,5-7,12-14H2,1-4H3,(H,28,33)(H,29,30)/t19-,22-,23+,24-,26+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559527
PNG
(CHEMBL3907970)
Show SMILES CCCc1ccc(Cc2c(C)[nH]nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
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n/an/a 8.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of juxtamembrane region deficient recombinant human N-terminal His6-tagged/GST-tagged TrkA (498 to 796 residues) expressed in baculovirus ...

Bioorg Med Chem Lett 27: 1233-1236 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.056
BindingDB Entry DOI: 10.7270/Q2TT4T51
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TrkA expressed in DHFR deficient CHO cells assessed as inhibition of human beta-nerve growth factor-induced calcium i...

Bioorg Med Chem Lett 27: 1233-1236 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.056
BindingDB Entry DOI: 10.7270/Q2TT4T51
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559522
PNG
(CHEMBL3960449)
Show SMILES CC(C)Oc1ccc(Cc2c(C)[nH]nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50426894
PNG
(CHEMBL2323684)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1 |r|
Show InChI InChI=1S/C32H49N5O8/c1-19(2)25-22(29(35-34-25)45-30-28(42)27(41)26(40)23(18-38)44-30)17-21-11-9-20(10-12-21)7-6-8-24(39)33-32(3,4)31(43)37-15-13-36(5)14-16-37/h9-12,19,23,26-28,30,38,40-42H,6-8,13-18H2,1-5H3,(H,33,39)(H,34,35)/t23-,26-,27+,28-,30+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160326
PNG
(US9040693, 146)
Show SMILES CC(C)(C(=O)c1ccc(Cl)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O)c1ccccc1 |(4.39,-1.92,;4.39,-.38,;3.62,.95,;3.06,.39,;3.06,1.93,;1.72,-.38,;1.72,-1.92,;.39,-2.69,;-.94,-1.92,;-2.28,-2.69,;-.94,-.38,;.39,.39,;-2.28,.39,;-2.28,1.93,;-.94,2.7,;-3.61,2.7,;-4.94,1.93,;-6.41,2.4,;-7.31,1.16,;-6.41,-.09,;-6.89,-1.55,;-8.39,-1.87,;-5.85,-2.7,;-4.94,.39,;-3.61,-.38,;-3.61,-1.92,;5.72,.39,;7.06,-.38,;8.39,.39,;8.39,1.93,;7.06,2.7,;5.72,1.93,)|
Show InChI InChI=1S/C23H17ClN2O5S/c1-23(2,13-6-4-3-5-7-13)19(27)12-8-9-14(24)16(10-12)26-20(28)17-15(25-22(26)31)11-32-18(17)21(29)30/h3-11H,1-2H3,(H,25,31)(H,29,30)
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n/an/a 10n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50426887
PNG
(CHEMBL2323695)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)cc1C |r|
Show InChI InChI=1S/C32H49N5O8/c1-18(2)25-22(29(36-35-25)45-30-28(42)27(41)26(40)23(17-38)44-30)16-21-10-9-20(15-19(21)3)7-6-8-24(39)34-32(4,5)31(43)37-13-11-33-12-14-37/h9-10,15,18,23,26-28,30,33,38,40-42H,6-8,11-14,16-17H2,1-5H3,(H,34,39)(H,35,36)/t23-,26-,27+,28-,30+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559524
PNG
(CHEMBL3923809)
Show SMILES CCOc1ccc(Cc2c(C)[nH]nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559525
PNG
(CHEMBL3934976)
Show SMILES COc1ccc(Cc2c(C)[nH]nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559529
PNG
(CHEMBL3896936)
Show SMILES Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(C)cc1 |r|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50426906
PNG
(CHEMBL2323692)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)CO)cc1 |r|
Show InChI InChI=1S/C27H41N3O8/c1-15(2)21-18(25(30-29-21)38-26-24(36)23(35)22(34)19(13-31)37-26)12-17-10-8-16(9-11-17)6-5-7-20(33)28-27(3,4)14-32/h8-11,15,19,22-24,26,31-32,34-36H,5-7,12-14H2,1-4H3,(H,28,33)(H,29,30)/t19-,22-,23+,24-,26+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160329
PNG
(US9040693, 233)
Show SMILES COc1cc(F)c(cc1OCc1c(OC)ccc(F)c1F)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O |(4.34,-2.69,;3.01,-3.47,;1.68,-2.69,;.34,-3.47,;-.99,-2.69,;-2.33,-3.47,;-.99,-1.15,;.34,-.38,;1.68,-1.15,;3.01,-.38,;4.34,-1.15,;5.68,-.38,;7.01,-1.15,;7.01,-2.69,;5.68,-3.46,;8.34,-.38,;8.34,1.15,;7.01,1.93,;7.01,3.47,;5.68,1.15,;4.34,1.93,;-2.33,-.38,;-2.33,1.15,;-.99,1.93,;-3.66,1.93,;-4.99,1.15,;-6.46,1.63,;-7.36,.38,;-6.46,-.86,;-6.86,-2.35,;-8.34,-2.75,;-5.77,-3.44,;-4.99,-.38,;-3.66,-1.15,;-3.66,-2.69,)|
Show InChI InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)
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n/an/a 15n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50426895
PNG
(CHEMBL2323683)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)cc1 |r|
Show InChI InChI=1S/C31H47N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-10-8-19(9-11-20)6-5-7-23(38)33-31(3,4)30(42)36-14-12-32-13-15-36/h8-11,18,22,25-27,29,32,37,39-41H,5-7,12-17H2,1-4H3,(H,33,38)(H,34,35)/t22-,25-,26+,27-,29+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160330
PNG
(US9040693, 367)
Show SMILES COCCOc1ccc(F)c(F)c1COc1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O |(10.34,-2.69,;9.01,-3.46,;7.68,-2.69,;6.34,-3.46,;5.01,-2.69,;5.01,-1.15,;6.34,-.38,;6.34,1.16,;5.01,1.93,;5.01,3.47,;3.68,1.16,;2.34,1.93,;3.68,-.38,;2.34,-1.15,;1.01,-.38,;-.33,-1.15,;-.33,-2.69,;-1.66,-3.47,;-2.99,-2.69,;-4.33,-3.47,;-2.99,-1.15,;-1.66,-.38,;-4.33,-.38,;-4.33,1.15,;-2.99,1.93,;-5.66,1.93,;-6.99,1.15,;-8.46,1.63,;-9.36,.38,;-8.46,-.86,;-8.86,-2.35,;-10.34,-2.75,;-7.77,-3.44,;-6.99,-.38,;-5.66,-1.15,;-5.66,-2.69,)|
Show InChI InChI=1S/C23H17F3N2O7S/c1-33-6-7-34-17-5-4-14(25)19(26)12(17)9-35-11-2-3-13(24)16(8-11)28-21(29)18-15(27-23(28)32)10-36-20(18)22(30)31/h2-5,8,10H,6-7,9H2,1H3,(H,27,32)(H,30,31)
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n/an/a 15n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559523
PNG
(CHEMBL3915296)
Show SMILES CCCOc1ccc(Cc2c(C)[nH]nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559539
PNG
(CHEMBL3980689)
Show SMILES CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C(F)(F)F)cc1 |r|
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559526
PNG
(CHEMBL3969998)
Show SMILES CC(C)c1ccc(Cc2c(C)[nH]nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160327
PNG
(US9040693, 191)
Show SMILES COc1ccc(F)cc1C(C)(C)Sc1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O |(5.72,-3.46,;7.06,-2.69,;7.06,-1.15,;8.39,-.38,;8.39,1.16,;7.06,1.93,;7.06,3.47,;5.72,1.16,;5.72,-.38,;4.39,-1.15,;4.39,-2.69,;3.62,.18,;3.06,-.38,;1.72,-1.15,;1.72,-2.69,;.39,-3.46,;-.94,-2.69,;-2.28,-3.46,;-.94,-1.15,;.39,-.38,;-2.28,-.38,;-2.28,1.16,;-.94,1.93,;-3.61,1.93,;-4.94,1.16,;-6.41,1.63,;-7.31,.39,;-6.41,-.86,;-6.89,-2.32,;-8.39,-2.64,;-5.85,-3.47,;-4.94,-.38,;-3.61,-1.15,;-3.61,-2.69,)|
Show InChI InChI=1S/C23H18F2N2O5S2/c1-23(2,13-8-11(24)4-7-17(13)32-3)34-12-5-6-14(25)16(9-12)27-20(28)18-15(26-22(27)31)10-33-19(18)21(29)30/h4-10H,1-3H3,(H,26,31)(H,29,30)
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n/an/a 17n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50426894
PNG
(CHEMBL2323684)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1 |r|
Show InChI InChI=1S/C32H49N5O8/c1-19(2)25-22(29(35-34-25)45-30-28(42)27(41)26(40)23(18-38)44-30)17-21-11-9-20(10-12-21)7-6-8-24(39)33-32(3,4)31(43)37-15-13-36(5)14-16-37/h9-12,19,23,26-28,30,38,40-42H,6-8,13-18H2,1-5H3,(H,33,39)(H,34,35)/t23-,26-,27+,28-,30+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559517
PNG
(Remogliflozin | Remogliflozin a)
Show SMILES CC(C)Oc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(C(C)C)c2C)cc1 |r|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160325
PNG
(US9040693, 95)
Show SMILES CN(C(=O)c1ccc(Cl)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O)c1ccccc1 |(4.55,-1.89,;4.55,-.35,;3.22,.42,;3.22,1.96,;1.89,-.35,;1.89,-1.89,;.55,-2.66,;-.78,-1.89,;-2.11,-2.66,;-.78,-.35,;.55,.42,;-2.11,.42,;-2.11,1.96,;-.78,2.73,;-3.45,2.73,;-4.78,1.96,;-6.25,2.43,;-7.15,1.19,;-6.25,-.06,;-7.02,-1.39,;-8.56,-1.39,;-6.25,-2.73,;-4.78,.42,;-3.45,-.35,;-3.45,-1.89,;5.89,.42,;7.22,-.35,;8.56,.42,;8.56,1.96,;7.22,2.73,;5.89,1.96,)|
Show InChI InChI=1S/C21H14ClN3O5S/c1-24(12-5-3-2-4-6-12)18(26)11-7-8-13(22)15(9-11)25-19(27)16-14(23-21(25)30)10-31-17(16)20(28)29/h2-10H,1H3,(H,23,30)(H,28,29)
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n/an/a 19n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160328
PNG
(US9040693, 202)
Show SMILES CC(C)(c1ccccc1)S(=O)(=O)c1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O |(4.34,2.69,;4.34,1.15,;4.74,-.33,;5.68,.38,;5.68,-1.15,;7.01,-1.93,;8.34,-1.15,;8.34,.38,;7.01,1.15,;3.01,.38,;2.24,1.72,;3.78,-.95,;1.68,-.38,;1.68,-1.93,;.34,-2.69,;-.99,-1.93,;-2.33,-2.69,;-.99,-.38,;.34,.38,;-2.33,.38,;-2.33,1.93,;-.99,2.69,;-3.66,2.69,;-4.99,1.93,;-6.46,2.4,;-7.36,1.15,;-6.46,-.09,;-6.86,-1.58,;-8.34,-1.98,;-5.77,-2.67,;-4.99,.38,;-3.66,-.38,;-3.66,-1.93,)|
Show InChI InChI=1S/C22H17FN2O6S2/c1-22(2,12-6-4-3-5-7-12)33(30,31)13-8-9-14(23)16(10-13)25-19(26)17-15(24-21(25)29)11-32-18(17)20(27)28/h3-11H,1-2H3,(H,24,29)(H,27,28)
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n/an/a 20n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50426895
PNG
(CHEMBL2323683)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)cc1 |r|
Show InChI InChI=1S/C31H47N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-10-8-19(9-11-20)6-5-7-23(38)33-31(3,4)30(42)36-14-12-32-13-15-36/h8-11,18,22,25-27,29,32,37,39-41H,5-7,12-17H2,1-4H3,(H,33,38)(H,34,35)/t22-,25-,26+,27-,29+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Rattus norvegicus)		BDBM50426887
PNG
(CHEMBL2323695)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)cc1C |r|
Show InChI InChI=1S/C32H49N5O8/c1-18(2)25-22(29(36-35-25)45-30-28(42)27(41)26(40)23(17-38)44-30)16-21-10-9-20(15-19(21)3)7-6-8-24(39)34-32(4,5)31(43)37-13-11-33-12-14-37/h9-10,15,18,23,26-28,30,33,38,40-42H,6-8,11-14,16-17H2,1-5H3,(H,34,39)(H,35,36)/t23-,26-,27+,28-,30+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of rat SGLT1

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50426889
PNG
(CHEMBL2323409)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc1 |r|
Show InChI InChI=1S/C31H49N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-12-10-19(11-13-20)8-7-9-23(38)33-31(3,4)30(42)32-14-15-36(5)6/h10-13,18,22,25-27,29,37,39-41H,7-9,14-17H2,1-6H3,(H,32,42)(H,33,38)(H,34,35)/t22-,25-,26+,27-,29+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50426893
PNG
(CHEMBL2323405)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCCCC2)cc1 |r|
Show InChI InChI=1S/C32H48N4O8/c1-19(2)25-22(29(35-34-25)44-30-28(41)27(40)26(39)23(18-37)43-30)17-21-13-11-20(12-14-21)9-8-10-24(38)33-32(3,4)31(42)36-15-6-5-7-16-36/h11-14,19,23,26-28,30,37,39-41H,5-10,15-18H2,1-4H3,(H,33,38)(H,34,35)/t23-,26-,27+,28-,30+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160332
PNG
(US9040693, 420)
Show SMILES COc1cc(F)c(cc1CN(C)c1c(F)cccc1F)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O |(3.01,-3.46,;3.01,-1.92,;1.68,-1.16,;.34,-1.93,;-.99,-1.16,;-2.33,-1.93,;-.99,.38,;.34,1.15,;1.68,.38,;3.01,1.15,;4.34,.38,;4.34,-1.15,;5.68,1.15,;5.68,2.69,;4.34,3.46,;7.01,3.46,;8.34,2.69,;8.34,1.15,;7.01,.38,;7.01,-1.16,;-2.33,1.15,;-2.33,2.69,;-.99,3.46,;-3.66,3.46,;-4.99,2.69,;-6.46,3.17,;-7.36,1.92,;-6.46,.68,;-6.86,-.81,;-8.34,-1.21,;-5.77,-1.9,;-4.99,1.15,;-3.66,.38,;-3.66,-1.16,)|
Show InChI InChI=1S/C22H16F3N3O5S/c1-27(18-11(23)4-3-5-12(18)24)8-10-6-15(13(25)7-16(10)33-2)28-20(29)17-14(26-22(28)32)9-34-19(17)21(30)31/h3-7,9H,8H2,1-2H3,(H,26,32)(H,30,31)
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US Patent
n/an/a 29n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160324
PNG
(US9040693, 48)
Show SMILES COc1cccc(F)c1C(C)Oc1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O |(5.89,-2.66,;7.22,-1.89,;7.22,-.35,;8.56,.42,;8.56,1.96,;7.22,2.73,;5.89,1.96,;4.55,2.73,;5.89,.42,;4.55,-.35,;4.55,-1.89,;3.22,.42,;1.89,-.35,;1.89,-1.89,;.55,-2.66,;-.78,-1.89,;-2.11,-2.66,;-.78,-.35,;.55,.42,;-2.11,.42,;-2.11,1.96,;-.78,2.73,;-3.45,2.73,;-4.78,1.96,;-6.25,2.43,;-7.15,1.19,;-6.25,-.06,;-7.02,-1.39,;-8.56,-1.39,;-6.25,-2.73,;-4.78,.42,;-3.45,-.35,;-3.45,-1.89,)|
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US Patent
n/an/a 29n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50394532
PNG
(CHEMBL2159094)
Show SMILES OC[C@H]1O[C@@H](Oc2[nH]nc(c2Cc2ccccc2OCc2ccccc2)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C24H25F3N2O7/c25-24(26,27)21-15(10-14-8-4-5-9-16(14)34-12-13-6-2-1-3-7-13)22(29-28-21)36-23-20(33)19(32)18(31)17(11-30)35-23/h1-9,17-20,23,30-33H,10-12H2,(H,28,29)/t17-,18-,19+,20-,23+/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in COS7 cells assessed as reduction of [14C]-AMG uptake

Bioorg Med Chem 20: 6598-612 (2012)


Article DOI: 10.1016/j.bmc.2012.09.037
BindingDB Entry DOI: 10.7270/Q26D5V36
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction of [14C]-AMG uptake

Bioorg Med Chem 20: 6598-612 (2012)


Article DOI: 10.1016/j.bmc.2012.09.037
BindingDB Entry DOI: 10.7270/Q26D5V36
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM160331
PNG
(US9040693, 414)
Show SMILES COc1cc(F)c(cc1COc1c(OC)ccc(F)c1F)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O |(4.34,-2.69,;3.01,-3.47,;1.68,-2.69,;.34,-3.47,;-.99,-2.69,;-2.33,-3.47,;-.99,-1.15,;.34,-.38,;1.68,-1.15,;3.01,-.38,;4.34,-1.15,;5.68,-.38,;7.01,-1.15,;7.01,-2.69,;8.34,-3.47,;8.34,-.38,;8.34,1.15,;7.01,1.93,;7.01,3.47,;5.68,1.15,;4.34,1.93,;-2.33,-.38,;-2.33,1.15,;-.99,1.93,;-3.66,1.93,;-4.99,1.15,;-6.46,1.63,;-7.36,.38,;-6.46,-.86,;-6.86,-2.35,;-8.34,-2.75,;-5.77,-3.44,;-4.99,-.38,;-3.66,-1.15,;-3.66,-2.69,)|
Show InChI InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)17(25)18(14)34-7-9-5-13(11(24)6-15(9)33-2)27-20(28)16-12(26-22(27)31)8-35-19(16)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)
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US Patent
n/an/a 42n/an/an/an/an/a37



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...

US Patent US9040693 (2015)


BindingDB Entry DOI: 10.7270/Q21R6P8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50426893
PNG
(CHEMBL2323405)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCCCC2)cc1 |r|
Show InChI InChI=1S/C32H48N4O8/c1-19(2)25-22(29(35-34-25)44-30-28(41)27(40)26(39)23(18-37)43-30)17-21-13-11-20(12-14-21)9-8-10-24(38)33-32(3,4)31(42)36-15-6-5-7-16-36/h11-14,19,23,26-28,30,37,39-41H,5-10,15-18H2,1-4H3,(H,33,38)(H,34,35)/t23-,26-,27+,28-,30+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559519
PNG
(CHEMBL4786882)
Show SMILES CCn1nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cc2ccc(OC(C)C)cc2)c1C |r|
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n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50426905
PNG
(CHEMBL2323693)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C27H40N4O8/c1-14(2)20-17(24(31-30-20)39-25-23(36)22(35)21(34)18(13-32)38-25)12-16-10-8-15(9-11-16)6-5-7-19(33)29-27(3,4)26(28)37/h8-11,14,18,21-23,25,32,34-36H,5-7,12-13H2,1-4H3,(H2,28,37)(H,29,33)(H,30,31)/t18-,21-,22+,23-,25+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50426889
PNG
(CHEMBL2323409)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc1 |r|
Show InChI InChI=1S/C31H49N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-12-10-19(11-13-20)8-7-9-23(38)33-31(3,4)30(42)32-14-15-36(5)6/h10-13,18,22,25-27,29,37,39-41H,7-9,14-17H2,1-6H3,(H,32,42)(H,33,38)(H,34,35)/t22-,25-,26+,27-,29+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50426888
PNG
(CHEMBL2323694)
Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)cc1 |r|
Show InChI InChI=1S/C31H47N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-10-8-19(9-11-20)6-5-7-23(38)33-31(3,4)30(42)36-14-12-32-13-15-36/h8-11,18,22,25-27,29,32,37,39-41H,5-7,12-17H2,1-4H3,(H,33,38)(H,34,35)/t22-,25+,26+,27-,29+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Kissei Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake

Bioorg Med Chem 21: 748-65 (2013)


Article DOI: 10.1016/j.bmc.2012.11.041
BindingDB Entry DOI: 10.7270/Q2445NS9
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50559537
PNG
(CHEMBL3972664)
Show SMILES CCc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(SC)cc1 |r|
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n/an/a 51n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116033
BindingDB Entry DOI: 10.7270/Q29G5RHZ
More data for this
Ligand-Target Pair
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