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Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'katsuno' and Initial = 'k'   
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
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
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))
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 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))
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 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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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))
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))
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
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))
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
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 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
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50559518
PNG
(CHEMBL4787524)
Show SMILES CCCn1nc(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 66n/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))
BDBM50022672
PNG
(CHEMBL3298266)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1
Show InChI InChI=1S/C27H26N8O2/c1-18-14-33(17-28-18)24-11-10-20(12-25(24)37-2)23-15-34(32-30-23)16-27(36)29-26-13-22(19-8-9-19)31-35(26)21-6-4-3-5-7-21/h3-7,10-15,17,19H,8-9,16H2,1-2H3,(H,29,36)
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n/an/a 85n/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))
BDBM50559532
PNG
(CHEMBL4765036)
Show SMILES OC[C@H]1O[C@@H](Oc2n[nH]c3cccc(CCc4ccccc4)c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 86n/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))
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 109n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
BDBM50559520
PNG
(CHEMBL4785821)
Show SMILES CC(C)Oc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(C)c2C)cc1 |r|
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n/an/a 110n/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))
BDBM50022672
PNG
(CHEMBL3298266)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1
Show InChI InChI=1S/C27H26N8O2/c1-18-14-33(17-28-18)24-11-10-20(12-25(24)37-2)23-15-34(32-30-23)16-27(36)29-26-13-22(19-8-9-19)31-35(26)21-6-4-3-5-7-21/h3-7,10-15,17,19H,8-9,16H2,1-2H3,(H,29,36)
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n/an/a 119n/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))
BDBM50022672
PNG
(CHEMBL3298266)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1
Show InChI InChI=1S/C27H26N8O2/c1-18-14-33(17-28-18)24-11-10-20(12-25(24)37-2)23-15-34(32-30-23)16-27(36)29-26-13-22(19-8-9-19)31-35(26)21-6-4-3-5-7-21/h3-7,10-15,17,19H,8-9,16H2,1-2H3,(H,29,36)
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n/an/a 132n/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
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50022672
PNG
(CHEMBL3298266)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1
Show InChI InChI=1S/C27H26N8O2/c1-18-14-33(17-28-18)24-11-10-20(12-25(24)37-2)23-15-34(32-30-23)16-27(36)29-26-13-22(19-8-9-19)31-35(26)21-6-4-3-5-7-21/h3-7,10-15,17,19H,8-9,16H2,1-2H3,(H,29,36)
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n/an/a 142n/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 1


(Homo sapiens (Human))
BDBM50559532
PNG
(CHEMBL4765036)
Show SMILES OC[C@H]1O[C@@H](Oc2n[nH]c3cccc(CCc4ccccc4)c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
BDBM50559536
PNG
(CHEMBL4795938)
Show SMILES CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C(C)C)cc1 |r|
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n/an/a 154n/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))
BDBM50559535
PNG
(CHEMBL4793115)
Show SMILES Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1 |r|
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n/an/a 181n/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))
BDBM50510995
PNG
(CHEMBL4556229)
Show SMILES Nc1c(cc(Nc2ccc(cc2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C31H32N4O4/c32-28-25(35-16-14-34(15-17-35)21-6-2-1-3-7-21)18-24(33-20-12-10-19(11-13-20)31(38)39)26-27(28)30(37)23-9-5-4-8-22(23)29(26)36/h4-5,8-13,18,21,33H,1-3,6-7,14-17,32H2,(H,38,39)
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n/an/a 199n/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)
Sodium/glucose cotransporter 1


(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 233n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
BDBM50022672
PNG
(CHEMBL3298266)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1
Show InChI InChI=1S/C27H26N8O2/c1-18-14-33(17-28-18)24-11-10-20(12-25(24)37-2)23-15-34(32-30-23)16-27(36)29-26-13-22(19-8-9-19)31-35(26)21-6-4-3-5-7-21/h3-7,10-15,17,19H,8-9,16H2,1-2H3,(H,29,36)
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n/an/a 287n/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)
Sodium/glucose cotransporter 1


(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 321n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
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 345n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
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 378n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
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 405n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
BDBM50559536
PNG
(CHEMBL4795938)
Show SMILES CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C(C)C)cc1 |r|
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n/an/a 468n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
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 626n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
BDBM50559530
PNG
(CHEMBL4752053)
Show SMILES Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1cccc(C)c1 |r|
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n/an/a 757n/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))
BDBM50559531
PNG
(CHEMBL4750405)
Show SMILES Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1C |r|
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n/an/a 914n/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))
BDBM50559521
PNG
(CHEMBL4760667)
Show SMILES CC(C)Oc1ccc(Cc2c(C)nn(C)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
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n/an/a>1.00E+3n/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))
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 1.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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
BDNF/NT-3 growth factors 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
PDB
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UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/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 1


(Homo sapiens (Human))
BDBM50559535
PNG
(CHEMBL4793115)
Show SMILES Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1 |r|
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antibodypedia
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n/an/a 1.32E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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))
BDBM50559531
PNG
(CHEMBL4750405)
Show SMILES Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1C |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SGLT1 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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