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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'koshizawa' and Initial = 't'   
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
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50094851
PNG
(CHEMBL3589803)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H40F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h12-15,18-20,43H,6-11,16-17H2,1-5H3,(H,39,42)
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n/an/an/an/a 1.12E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50172720
PNG
(CHEMBL3814017)
Show SMILES CCCc1cc(cc(CCC)c1OC\C=C\CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H38F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h8-9,12-15,18-20,43H,6-7,10-11,16-17H2,1-5H3,(H,39,42)/b9-8+
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n/an/an/an/a 1.23E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50172721
PNG
(CHEMBL3814026)
Show SMILES CCCc1cc(cc(CCC)c1OCC#CCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H36F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h12-15,18-20,43H,6-7,10-11,16-17H2,1-5H3,(H,39,42)
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n/an/an/an/a 860n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50173929
PNG
(CHEMBL3814025)
Show SMILES CCCc1cc(ccc1Oc1cccc(CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H32F6N2O5/c1-5-7-21-17-23(30(43,31(33,34)35)32(36,37)38)12-15-26(21)45-25-9-6-8-20(16-25)18-40-27(41)29(4,39-28(40)42)22-10-13-24(14-11-22)44-19(2)3/h6,8-17,19,43H,5,7,18H2,1-4H3,(H,39,42)
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n/an/an/an/a 1.96E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50174995
PNG
(CHEMBL3814000)
Show SMILES CCCc1cc(ccc1Oc1cccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O5/c1-5-7-22-19-24(31(44,32(34,35)36)33(37,38)39)12-15-27(22)46-26-9-6-8-21(18-26)16-17-41-28(42)30(4,40-29(41)43)23-10-13-25(14-11-23)45-20(2)3/h6,8-15,18-20,44H,5,7,16-17H2,1-4H3,(H,40,43)
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n/an/an/an/a 2.89E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50176997
PNG
(CHEMBL3814071)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(C)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H36F6N2O5/c1-6-7-23-19-25(32(45,33(35,36)37)34(38,39)40)11-15-28(23)47-27-12-8-22(21(4)18-27)16-17-42-29(43)31(5,41-30(42)44)24-9-13-26(14-10-24)46-20(2)3/h8-15,18-20,45H,6-7,16-17H2,1-5H3,(H,41,44)
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n/an/an/an/a 3.14E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50179403
PNG
(CHEMBL3814381)
Show SMILES CCCc1cc(ccc1Oc1ccc(cc1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H32F6N2O6/c1-5-6-21-17-23(31(45,32(34,35)36)33(37,38)39)11-16-27(21)47-25-12-7-20(8-13-25)26(42)18-41-28(43)30(4,40-29(41)44)22-9-14-24(15-10-22)46-19(2)3/h7-17,19,45H,5-6,18H2,1-4H3,(H,40,44)
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n/an/an/an/a 360n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50179430
PNG
(CHEMBL3813703)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(C)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H34F6N2O6/c1-6-7-21-17-23(32(46,33(35,36)37)34(38,39)40)10-15-28(21)48-25-13-14-26(20(4)16-25)27(43)18-42-29(44)31(5,41-30(42)45)22-8-11-24(12-9-22)47-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
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n/an/an/an/a 400n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50179431
PNG
(CHEMBL3814351)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(OC)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H34F6N2O7/c1-6-7-20-16-22(32(46,33(35,36)37)34(38,39)40)10-15-27(20)49-24-13-14-25(28(17-24)47-5)26(43)18-42-29(44)31(4,41-30(42)45)21-8-11-23(12-9-21)48-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
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n/an/an/an/a 3.74E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50179484
PNG
(CHEMBL3814980)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H32F6N2O7/c1-5-6-19-15-21(31(46,32(34,35)36)33(37,38)39)9-14-27(19)48-23-12-13-24(25(42)16-23)26(43)17-41-28(44)30(4,40-29(41)45)20-7-10-22(11-8-20)47-18(2)3/h7-16,18,42,46H,5-6,17H2,1-4H3,(H,40,45)
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n/an/an/an/a 340n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 330n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 330n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 490n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50064330
PNG
(CHEMBL3403710)
Show SMILES CCCc1c(OCCCCN2C(=O)NC(C)(C2=O)c2ccc(OC)cc2)ccc2c(cc(=O)oc12)C(F)(F)F
Show InChI InChI=1S/C28H29F3N2O6/c1-4-7-20-22(13-12-19-21(28(29,30)31)16-23(34)39-24(19)20)38-15-6-5-14-33-25(35)27(2,32-26(33)36)17-8-10-18(37-3)11-9-17/h8-13,16H,4-7,14-15H2,1-3H3,(H,32,36)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50094851
PNG
(CHEMBL3589803)
Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H40F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h12-15,18-20,43H,6-11,16-17H2,1-5H3,(H,39,42)
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n/an/an/an/a 1.15E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50172720
PNG
(CHEMBL3814017)
Show SMILES CCCc1cc(cc(CCC)c1OC\C=C\CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H38F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h8-9,12-15,18-20,43H,6-7,10-11,16-17H2,1-5H3,(H,39,42)/b9-8+
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n/an/an/an/a 800n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50172721
PNG
(CHEMBL3814026)
Show SMILES CCCc1cc(cc(CCC)c1OCC#CCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H36F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h12-15,18-20,43H,6-7,10-11,16-17H2,1-5H3,(H,39,42)
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n/an/an/an/a 610n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50173929
PNG
(CHEMBL3814025)
Show SMILES CCCc1cc(ccc1Oc1cccc(CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H32F6N2O5/c1-5-7-21-17-23(30(43,31(33,34)35)32(36,37)38)12-15-26(21)45-25-9-6-8-20(16-25)18-40-27(41)29(4,39-28(40)42)22-10-13-24(14-11-22)44-19(2)3/h6,8-17,19,43H,5,7,18H2,1-4H3,(H,39,42)
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n/an/an/an/a 500n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179486
PNG
(CHEMBL3814224)
Show SMILES CCCc1cc(ccc1Oc1ccc(CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H32F6N2O5/c1-5-6-21-17-23(30(43,31(33,34)35)32(36,37)38)11-16-26(21)45-25-12-7-20(8-13-25)18-40-27(41)29(4,39-28(40)42)22-9-14-24(15-10-22)44-19(2)3/h7-17,19,43H,5-6,18H2,1-4H3,(H,39,42)
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n/an/an/an/a 1.81E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50174995
PNG
(CHEMBL3814000)
Show SMILES CCCc1cc(ccc1Oc1cccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O5/c1-5-7-22-19-24(31(44,32(34,35)36)33(37,38)39)12-15-27(22)46-26-9-6-8-21(18-26)16-17-41-28(42)30(4,40-29(41)43)23-10-13-25(14-11-23)45-20(2)3/h6,8-15,18-20,44H,5,7,16-17H2,1-4H3,(H,40,43)
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n/an/an/an/a 2.85E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179488
PNG
(CHEMBL3814807)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O5/c1-5-6-22-19-24(31(44,32(34,35)36)33(37,38)39)11-16-27(22)46-26-12-7-21(8-13-26)17-18-41-28(42)30(4,40-29(41)43)23-9-14-25(15-10-23)45-20(2)3/h7-16,19-20,44H,5-6,17-18H2,1-4H3,(H,40,43)
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n/an/an/an/a 1.88E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50176997
PNG
(CHEMBL3814071)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(C)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H36F6N2O5/c1-6-7-23-19-25(32(45,33(35,36)37)34(38,39)40)11-15-28(23)47-27-12-8-22(21(4)18-27)16-17-42-29(43)31(5,41-30(42)44)24-9-13-26(14-10-24)46-20(2)3/h8-15,18-20,45H,6-7,16-17H2,1-5H3,(H,41,44)
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n/an/an/an/a 700n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179489
PNG
(CHEMBL3814297)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(OC)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H36F6N2O6/c1-6-7-22-18-24(32(45,33(35,36)37)34(38,39)40)11-15-27(22)48-26-12-8-21(28(19-26)46-5)16-17-42-29(43)31(4,41-30(42)44)23-9-13-25(14-10-23)47-20(2)3/h8-15,18-20,45H,6-7,16-17H2,1-5H3,(H,41,44)
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n/an/an/an/a 1.66E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179490
PNG
(CHEMBL3813961)
Show SMILES CCCc1cc(ccc1Oc1ccc(CCN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O6/c1-5-6-21-17-23(31(45,32(34,35)36)33(37,38)39)10-14-27(21)47-25-11-7-20(26(42)18-25)15-16-41-28(43)30(4,40-29(41)44)22-8-12-24(13-9-22)46-19(2)3/h7-14,17-19,42,45H,5-6,15-16H2,1-4H3,(H,40,44)
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n/an/an/an/a 2.87E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179491
PNG
(CHEMBL3814806)
Show SMILES CCCc1cc(ccc1Oc1ccc(cc1)C(O)CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H34F6N2O6/c1-5-6-21-17-23(31(45,32(34,35)36)33(37,38)39)11-16-27(21)47-25-12-7-20(8-13-25)26(42)18-41-28(43)30(4,40-29(41)44)22-9-14-24(15-10-22)46-19(2)3/h7-17,19,26,42,45H,5-6,18H2,1-4H3,(H,40,44)
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n/an/an/an/a 2.33E+3n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179403
PNG
(CHEMBL3814381)
Show SMILES CCCc1cc(ccc1Oc1ccc(cc1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H32F6N2O6/c1-5-6-21-17-23(31(45,32(34,35)36)33(37,38)39)11-16-27(21)47-25-12-7-20(8-13-25)26(42)18-41-28(43)30(4,40-29(41)44)22-9-14-24(15-10-22)46-19(2)3/h7-17,19,45H,5-6,18H2,1-4H3,(H,40,44)
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n/an/an/an/a 120n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179430
PNG
(CHEMBL3813703)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(C)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H34F6N2O6/c1-6-7-21-17-23(32(46,33(35,36)37)34(38,39)40)10-15-28(21)48-25-13-14-26(20(4)16-25)27(43)18-42-29(44)31(5,41-30(42)45)22-8-11-24(12-9-22)47-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
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n/an/an/an/a 64n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179431
PNG
(CHEMBL3814351)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(OC)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H34F6N2O7/c1-6-7-20-16-22(32(46,33(35,36)37)34(38,39)40)10-15-27(20)49-24-13-14-25(28(17-24)47-5)26(43)18-42-29(44)31(4,41-30(42)45)21-8-11-23(12-9-21)48-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
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n/an/an/an/a 360n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179484
PNG
(CHEMBL3814980)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H32F6N2O7/c1-5-6-19-15-21(31(46,32(34,35)36)33(37,38)39)9-14-27(19)48-23-12-13-24(25(42)16-23)26(43)17-41-28(44)30(4,40-29(41)45)20-7-10-22(11-8-20)47-18(2)3/h7-16,18,42,46H,5-6,17H2,1-4H3,(H,40,45)
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n/an/an/an/a 110n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 58n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 58n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
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n/an/an/an/a 7n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 410n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268607
PNG
(CHEMBL4060970)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1coc2c(ncnc12)N1CCCc2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C26H32N4O5S/c1-26(2,3)35-25(31)29-12-9-17(10-13-29)20-15-34-23-22(20)27-16-28-24(23)30-11-5-6-18-14-19(36(4,32)33)7-8-21(18)30/h7-8,14-17H,5-6,9-13H2,1-4H3
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n/an/an/an/a 793n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268608
PNG
(CHEMBL4072360)
Show SMILES CN(c1ccc(cc1F)S(C)(=O)=O)c1ncnc2c(coc12)C1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H29FN4O5S/c1-24(2,3)34-23(30)29-10-8-15(9-11-29)17-13-33-21-20(17)26-14-27-22(21)28(4)19-7-6-16(12-18(19)25)35(5,31)32/h6-7,12-15H,8-11H2,1-5H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268613
PNG
(CHEMBL4099307)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C25H30N4O5S/c1-25(2,3)34-24(30)28-10-7-16(8-11-28)19-14-33-22-21(19)26-15-27-23(22)29-12-9-17-13-18(35(4,31)32)5-6-20(17)29/h5-6,13-16H,7-12H2,1-4H3
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n/an/an/an/a 53n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268614
PNG
(CHEMBL4098382)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1coc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C23H27FN4O5S/c1-23(2,3)33-22(29)28-9-7-14(8-10-28)16-12-32-20-19(16)25-13-26-21(20)27-18-6-5-15(11-17(18)24)34(4,30)31/h5-6,11-14H,7-10H2,1-4H3,(H,25,26,27)
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n/an/an/an/a 129n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268615
PNG
(CHEMBL4065753)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1noc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C22H26FN5O5S/c1-22(2,3)32-21(29)28-9-7-13(8-10-28)17-18-19(33-27-17)20(25-12-24-18)26-16-6-5-14(11-15(16)23)34(4,30)31/h5-6,11-13H,7-10H2,1-4H3,(H,24,25,26)
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n/an/an/an/a 353n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268617
PNG
(CHEMBL4093367)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c2ncnc(Nc3ccc(cc3F)S(C)(=O)=O)c12
Show InChI InChI=1S/C24H30FN5O4S/c1-24(2,3)34-23(31)30-10-8-15(9-11-30)17-13-29(4)21-20(17)26-14-27-22(21)28-19-7-6-16(12-18(19)25)35(5,32)33/h6-7,12-15H,8-11H2,1-5H3,(H,26,27,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268618
PNG
(CHEMBL4083015)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1c[nH]c2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C23H28FN5O4S/c1-23(2,3)33-22(30)29-9-7-14(8-10-29)16-12-25-20-19(16)26-13-27-21(20)28-18-6-5-15(11-17(18)24)34(4,31)32/h5-6,11-14,25H,7-10H2,1-4H3,(H,26,27,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268619
PNG
(CHEMBL4100997)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1csc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C23H27FN4O4S2/c1-23(2,3)32-22(29)28-9-7-14(8-10-28)16-12-33-20-19(16)25-13-26-21(20)27-18-6-5-15(11-17(18)24)34(4,30)31/h5-6,11-14H,7-10H2,1-4H3,(H,25,26,27)
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n/an/an/an/a 79n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268621
PNG
(CHEMBL4101938)
Show SMILES CS(=O)(=O)c1ccc2N(CCc2c1)c1ncnc2c(coc12)C1CCN(CC1)c1ncc(Cl)cn1
Show InChI InChI=1S/C24H23ClN6O3S/c1-35(32,33)18-2-3-20-16(10-18)6-9-31(20)23-22-21(28-14-29-23)19(13-34-22)15-4-7-30(8-5-15)24-26-11-17(25)12-27-24/h2-3,10-15H,4-9H2,1H3
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n/an/an/an/a 42n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268622
PNG
(CHEMBL4077670)
Show SMILES CS(=O)(=O)c1ccc2N(CCc2c1)c1ncnc2c(coc12)C1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C24H23FN6O3S/c1-35(32,33)18-2-3-20-16(10-18)6-9-31(20)23-22-21(28-14-29-23)19(13-34-22)15-4-7-30(8-5-15)24-26-11-17(25)12-27-24/h2-3,10-15H,4-9H2,1H3
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n/an/an/an/a 201n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268623
PNG
(CHEMBL4063942)
Show SMILES COc1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C25H26N6O4S/c1-34-18-12-26-25(27-13-18)30-8-5-16(6-9-30)20-14-35-23-22(20)28-15-29-24(23)31-10-7-17-11-19(36(2,32)33)3-4-21(17)31/h3-4,11-16H,5-10H2,1-2H3
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n/an/an/an/a 310n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268624
PNG
(CHEMBL4085517)
Show SMILES CS(=O)(=O)c1ccc2N(CCc2c1)c1ncnc2c(coc12)C1CCN(CC1)c1ncc(O)cn1
Show InChI InChI=1S/C24H24N6O4S/c1-35(32,33)18-2-3-20-16(10-18)6-9-30(20)23-22-21(27-14-28-23)19(13-34-22)15-4-7-29(8-5-15)24-25-11-17(31)12-26-24/h2-3,10-15,31H,4-9H2,1H3
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n/an/an/an/a 391n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268630
PNG
(CHEMBL4086445)
Show SMILES CC(O)c1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C26H28N6O4S/c1-16(33)19-12-27-26(28-13-19)31-8-5-17(6-9-31)21-14-36-24-23(21)29-15-30-25(24)32-10-7-18-11-20(37(2,34)35)3-4-22(18)32/h3-4,11-17,33H,5-10H2,1-2H3
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n/an/an/an/a 586n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268631
PNG
(CHEMBL4104336)
Show SMILES CC(=O)c1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C26H26N6O4S/c1-16(33)19-12-27-26(28-13-19)31-8-5-17(6-9-31)21-14-36-24-23(21)29-15-30-25(24)32-10-7-18-11-20(37(2,34)35)3-4-22(18)32/h3-4,11-15,17H,5-10H2,1-2H3
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n/an/an/an/a 78n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268637
PNG
(CHEMBL4094202)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C26H28N6O3S/c1-3-17-13-27-26(28-14-17)31-9-6-18(7-10-31)21-15-35-24-23(21)29-16-30-25(24)32-11-8-19-12-20(36(2,33)34)4-5-22(19)32/h4-5,12-16,18H,3,6-11H2,1-2H3
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n/an/an/an/a 41n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268638
PNG
(CHEMBL4080356)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)n1nnc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C23H26FN9O2S/c1-3-4-15-12-25-23(26-13-15)32-9-7-16(8-10-32)33-22-20(30-31-33)21(27-14-28-22)29-19-6-5-17(11-18(19)24)36(2,34)35/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,27,28,29)
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n/an/an/an/a 82n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50268639
PNG
(CHEMBL4099566)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1nnc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C21H26FN7O4S/c1-21(2,3)33-20(30)28-9-7-13(8-10-28)29-19-17(26-27-29)18(23-12-24-19)25-16-6-5-14(11-15(16)22)34(4,31)32/h5-6,11-13H,7-10H2,1-4H3,(H,23,24,25)
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n/an/an/an/a 19n/an/an/an/a



Tokyo New Drug Research Laboratories, Pharmaceutical Division, Kowa Co., LTD., 2-17-43, Noguchicho, Higashimurayama, Tokyo 189-0022, Japan. Electronic address: t-kosizw@kowa.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 27: 3249-3253 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.034
BindingDB Entry DOI: 10.7270/Q2TB19CJ
More data for this
Ligand-Target Pair
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