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PubMed code 28190654

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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
Bile acid receptor


(Homo sapiens (Human))		BDBM50231000
PNG
(CHEMBL4091307)
Show SMILES CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccc(Cl)cc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H27ClN4O5/c1-17(2)14-25(27-31-23-13-4-18(28(36)37)15-24(23)32(27)3)34-26(35)16-33(29(34)38)20-7-11-22(12-8-20)39-21-9-5-19(30)6-10-21/h4-13,15,17,25H,14,16H2,1-3H3,(H,36,37)/t25-/m0/s1
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n/an/a 2.56E+3n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231222
PNG
(CHEMBL4074259)
Show SMILES CC(C)C[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H28N4O5/c1-18(2)15-25(27-30-23-14-9-19(28(35)36)16-24(23)31(27)3)33-26(34)17-32(29(33)37)20-10-12-22(13-11-20)38-21-7-5-4-6-8-21/h4-14,16,18,25H,15,17H2,1-3H3,(H,35,36)/t25-/m1/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50230992
PNG
(CHEMBL4079195)
Show SMILES C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C26H22N4O5/c1-16(24-27-21-13-8-17(25(32)33)14-22(21)28(24)2)30-23(31)15-29(26(30)34)18-9-11-20(12-10-18)35-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,32,33)/t16-/m0/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231129
PNG
(CHEMBL4087269)
Show SMILES CC(C)C[C@H](N1C(=O)CN(C1=O)c1cccc(Oc2ccccc2)c1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H28N4O5/c1-18(2)14-25(27-30-23-13-12-19(28(35)36)15-24(23)31(27)3)33-26(34)17-32(29(33)37)20-8-7-11-22(16-20)38-21-9-5-4-6-10-21/h4-13,15-16,18,25H,14,17H2,1-3H3,(H,35,36)/t25-/m0/s1
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n/an/a 1.82E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231003
PNG
(CHEMBL4105130)
Show SMILES CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(cc1)-c1ccccc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H28N4O4/c1-18(2)15-25(27-30-23-14-11-21(28(35)36)16-24(23)31(27)3)33-26(34)17-32(29(33)37)22-12-9-20(10-13-22)19-7-5-4-6-8-19/h4-14,16,18,25H,15,17H2,1-3H3,(H,35,36)/t25-/m0/s1
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n/an/a 2.31E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231018
PNG
(CHEMBL4075735)
Show SMILES Cn1c(nc2ccc(cc12)C(O)=O)[C@H](CC1CCCCC1)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H32N4O5/c1-34-27-19-22(31(38)39)12-17-26(27)33-30(34)28(18-21-8-4-2-5-9-21)36-29(37)20-35(32(36)40)23-13-15-25(16-14-23)41-24-10-6-3-7-11-24/h3,6-7,10-17,19,21,28H,2,4-5,8-9,18,20H2,1H3,(H,38,39)/t28-/m0/s1
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n/an/a 2.44E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231012
PNG
(CHEMBL4064817)
Show SMILES CC(C)C[C@H](N1CCN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H30N4O4/c1-19(2)17-26(27-30-24-14-9-20(28(34)35)18-25(24)31(27)3)33-16-15-32(29(33)36)21-10-12-23(13-11-21)37-22-7-5-4-6-8-22/h4-14,18-19,26H,15-17H2,1-3H3,(H,34,35)/t26-/m0/s1
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n/an/a 2.85E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231014
PNG
(CHEMBL4075485)
Show SMILES Cn1c(nc2ccc(cc12)C(O)=O)[C@H](Cc1ccccc1)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H26N4O5/c1-34-27-19-22(31(38)39)12-17-26(27)33-30(34)28(18-21-8-4-2-5-9-21)36-29(37)20-35(32(36)40)23-13-15-25(16-14-23)41-24-10-6-3-7-11-24/h2-17,19,28H,18,20H2,1H3,(H,38,39)/t28-/m0/s1
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n/an/a 3.52E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50230996
PNG
(CHEMBL4072074)
Show SMILES CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H28N4O5/c1-18(2)15-25(27-30-23-14-9-19(28(35)36)16-24(23)31(27)3)33-26(34)17-32(29(33)37)20-10-12-22(13-11-20)38-21-7-5-4-6-8-21/h4-14,16,18,25H,15,17H2,1-3H3,(H,35,36)/t25-/m0/s1
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n/an/a 4.34E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118070
PNG
((Z)-Gugglesterone | Guggulsterone)
Show SMILES [H][C@@]12CC(=O)\C(=C/C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
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n/an/a 4.49E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231131
PNG
(CHEMBL4102690)
Show SMILES CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(C)cc2n1C |r|
Show InChI InChI=1S/C29H30N4O3/c1-19(2)16-26(28-30-24-15-10-20(3)17-25(24)31(28)4)33-27(34)18-32(29(33)35)21-11-13-23(14-12-21)36-22-8-6-5-7-9-22/h5-15,17,19,26H,16,18H2,1-4H3/t26-/m0/s1
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n/an/a 6.56E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231001
PNG
(CHEMBL4059655)
Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC(C)C)c3nc4ccc(cc4n3C)C(O)=O)C2=O)cc1 |r|
Show InChI InChI=1S/C30H30N4O6/c1-18(2)15-26(28-31-24-14-5-19(29(36)37)16-25(24)32(28)3)34-27(35)17-33(30(34)38)20-6-8-22(9-7-20)40-23-12-10-21(39-4)11-13-23/h5-14,16,18,26H,15,17H2,1-4H3,(H,36,37)/t26-/m0/s1
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n/an/a 7.53E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50230998
PNG
(CHEMBL4101514)
Show SMILES Cn1c(nc2ccc(cc12)C(O)=O)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)C(C)(C)C |r|
Show InChI InChI=1S/C29H28N4O5/c1-29(2,3)25(26-30-22-15-10-18(27(35)36)16-23(22)31(26)4)33-24(34)17-32(28(33)37)19-11-13-21(14-12-19)38-20-8-6-5-7-9-20/h5-16,25H,17H2,1-4H3,(H,35,36)/t25-/m1/s1
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n/an/a 7.71E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50230990
PNG
(CHEMBL4093639)
Show SMILES Cn1c(nc2ccc(cc12)C(O)=O)[C@@H](Cc1ccccc1)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H26N4O5/c1-34-27-19-22(31(38)39)12-17-26(27)33-30(34)28(18-21-8-4-2-5-9-21)36-29(37)20-35(32(36)40)23-13-15-25(16-14-23)41-24-10-6-3-7-11-24/h2-17,19,28H,18,20H2,1H3,(H,38,39)/t28-/m1/s1
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n/an/a 8.75E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50230999
PNG
(CHEMBL4099184)
Show SMILES CC[C@H](C)[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H28N4O5/c1-4-18(2)26(27-30-23-15-10-19(28(35)36)16-24(23)31(27)3)33-25(34)17-32(29(33)37)20-11-13-22(14-12-20)38-21-8-6-5-7-9-21/h5-16,18,26H,4,17H2,1-3H3,(H,35,36)/t18-,26-/m0/s1
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n/an/a 1.02E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231005
PNG
(CHEMBL4078435)
Show SMILES CC(C)C[C@H](N1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(C)(C)C1=O)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C31H32N4O5/c1-19(2)17-26(27-32-24-16-11-20(28(36)37)18-25(24)33(27)5)34-29(38)31(3,4)35(30(34)39)21-12-14-23(15-13-21)40-22-9-7-6-8-10-22/h6-16,18-19,26H,17H2,1-5H3,(H,36,37)/t26-/m0/s1
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n/an/a 1.05E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50230991
PNG
(CHEMBL4067531)
Show SMILES CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2cc(ccc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H28N4O5/c1-18(2)15-25(27-30-23-16-19(28(35)36)9-14-24(23)31(27)3)33-26(34)17-32(29(33)37)20-10-12-22(13-11-20)38-21-7-5-4-6-8-21/h4-14,16,18,25H,15,17H2,1-3H3,(H,35,36)/t25-/m0/s1
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n/an/a 1.13E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50230995
PNG
(CHEMBL4065703)
Show SMILES CC(C)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C28H26N4O5/c1-17(2)25(26-29-22-14-9-18(27(34)35)15-23(22)30(26)3)32-24(33)16-31(28(32)36)19-10-12-21(13-11-19)37-20-7-5-4-6-8-20/h4-15,17,25H,16H2,1-3H3,(H,34,35)/t25-/m1/s1
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n/an/a 1.19E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231002
PNG
(CHEMBL4087950)
Show SMILES CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(OC2CCCCC2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C29H34N4O5/c1-18(2)15-25(27-30-23-14-9-19(28(35)36)16-24(23)31(27)3)33-26(34)17-32(29(33)37)20-10-12-22(13-11-20)38-21-7-5-4-6-8-21/h9-14,16,18,21,25H,4-8,15,17H2,1-3H3,(H,35,36)/t25-/m0/s1
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n/an/a 1.26E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231013
PNG
(CHEMBL4103694)
Show SMILES Cc1ccc2nc([C@H](CC3CCCCC3)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r|
Show InChI InChI=1S/C32H34N4O3/c1-22-13-18-27-28(19-22)34(2)31(33-27)29(20-23-9-5-3-6-10-23)36-30(37)21-35(32(36)38)24-14-16-26(17-15-24)39-25-11-7-4-8-12-25/h4,7-8,11-19,23,29H,3,5-6,9-10,20-21H2,1-2H3/t29-/m0/s1
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n/an/a 1.26E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50230994
PNG
(CHEMBL4095696)
Show SMILES CC(C)[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C28H26N4O5/c1-17(2)25(26-29-22-14-9-18(27(34)35)15-23(22)30(26)3)32-24(33)16-31(28(32)36)19-10-12-21(13-11-19)37-20-7-5-4-6-8-20/h4-15,17,25H,16H2,1-3H3,(H,34,35)/t25-/m0/s1
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n/an/a 1.75E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50230997
PNG
(CHEMBL4060674)
Show SMILES CC[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C27H24N4O5/c1-3-22(25-28-21-14-9-17(26(33)34)15-23(21)29(25)2)31-24(32)16-30(27(31)35)18-10-12-20(13-11-18)36-19-7-5-4-6-8-19/h4-15,22H,3,16H2,1-2H3,(H,33,34)/t22-/m0/s1
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n/an/a 2.10E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231004
PNG
(CHEMBL4094951)
Show SMILES CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(F)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C23H23FN4O4/c1-13(2)10-19(21-25-17-9-4-14(22(30)31)11-18(17)26(21)3)28-20(29)12-27(23(28)32)16-7-5-15(24)6-8-16/h4-9,11,13,19H,10,12H2,1-3H3,(H,30,31)/t19-/m0/s1
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n/an/a 3.99E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50231223
PNG
(CHEMBL4086295)
Show SMILES CC(C)C[C@H](N1CC(=O)N(CC1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C30H30N4O5/c1-19(2)15-26(29-31-24-14-9-20(30(37)38)16-25(24)32(29)3)34-18-27(35)33(17-28(34)36)21-10-12-23(13-11-21)39-22-7-5-4-6-8-22/h4-14,16,19,26H,15,17-18H2,1-3H3,(H,37,38)/t26-/m0/s1
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n/an/a 4.18E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


Article DOI: 10.1016/j.bmc.2017.01.040
BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%