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PubMed code 19586769

Compile data set for download or QSAR
Found 46 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 FXR


(Homo sapiens (human))
BDBM21724
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
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n/an/an/an/a 65n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297957
PNG
(3-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)cnc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H23Cl2N3O4/c1-16(2)27-20(26(32-37-27)25-21(29)7-4-8-22(25)30)14-36-19-9-10-24-23(12-19)31-15-33(24)13-17-5-3-6-18(11-17)28(34)35/h3-12,15-16H,13-14H2,1-2H3,(H,34,35)
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n/an/an/an/a 5.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297946
PNG
(4-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)4-3-5-26(27)32)16-36-23-13-12-21-14-20(10-11-22(21)15-23)18-6-8-19(9-7-18)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35)
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n/an/an/an/a 440n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297947
PNG
(3-[5-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2C(=O)N(Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2N2O5/c1-15(2)26-21(25(31-37-26)24-22(29)7-4-8-23(24)30)14-36-19-9-10-20-17(12-19)13-32(27(20)33)18-6-3-5-16(11-18)28(34)35/h3-12,15H,13-14H2,1-2H3,(H,34,35)
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n/an/an/an/a 1.10E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297959
PNG
(3-[(2-{2-[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)...)
Show SMILES CC(C)c1onc(c1CCc1nc2cccc(Nc3cccc(c3)C(O)=O)c2o1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H23Cl2N3O4/c1-15(2)26-18(25(33-37-26)24-19(29)8-4-9-20(24)30)12-13-23-32-22-11-5-10-21(27(22)36-23)31-17-7-3-6-16(14-17)28(34)35/h3-11,14-15,31H,12-13H2,1-2H3,(H,34,35)
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n/an/an/an/a 1.70E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50414755
PNG
(CHEMBL2094007)
Show SMILES CC(C)c1onc(c1COc1ccc2[nH]cc(Cc3cccc(c3)C(O)=O)c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-16(2)28-22(27(33-37-28)26-23(30)7-4-8-24(26)31)15-36-20-9-10-25-21(13-20)19(14-32-25)12-17-5-3-6-18(11-17)29(34)35/h3-11,13-14,16,32H,12,15H2,1-2H3,(H,34,35)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297939
PNG
(3-[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2sc(cc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-9-10-23-18(12-19)13-24(36-23)16-5-3-6-17(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
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n/an/an/an/a 32n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297942
PNG
(4-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)4-3-5-22(25)30)14-34-19-11-10-18-12-23(36-24(18)13-19)16-6-8-17(9-7-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
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n/an/an/an/a 220n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297945
PNG
(3-(6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-23-12-11-20-13-19(9-10-21(20)15-23)18-5-3-6-22(14-18)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35)
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n/an/an/an/a 110n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297950
PNG
(3-[2-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1CNc1nc2ccc(cc2s1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H21Cl2N3O3S/c1-14(2)25-18(24(32-35-25)23-19(28)7-4-8-20(23)29)13-30-27-31-21-10-9-16(12-22(21)36-27)15-5-3-6-17(11-15)26(33)34/h3-12,14H,13H2,1-2H3,(H,30,31)(H,33,34)
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n/an/an/an/a 380n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297951
PNG
(3-(2-{2-[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1CCc1nc2cc(ccc2o1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2N2O4/c1-15(2)27-19(26(32-36-27)25-20(29)7-4-8-21(25)30)10-12-24-31-22-14-17(9-11-23(22)35-24)16-5-3-6-18(13-16)28(33)34/h3-9,11,13-15H,10,12H2,1-2H3,(H,33,34)
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n/an/an/an/a 710n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50414755
PNG
(CHEMBL2094007)
Show SMILES CC(C)c1onc(c1COc1ccc2[nH]cc(Cc3cccc(c3)C(O)=O)c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-16(2)28-22(27(33-37-28)26-23(30)7-4-8-24(26)31)15-36-20-9-10-25-21(13-20)19(14-32-25)12-17-5-3-6-18(11-17)29(34)35/h3-11,13-14,16,32H,12,15H2,1-2H3,(H,34,35)
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n/an/an/an/a 1.50E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297939
PNG
(3-[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2sc(cc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-9-10-23-18(12-19)13-24(36-23)16-5-3-6-17(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297943
PNG
(3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2nc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H20Cl2N2O4S/c1-14(2)25-18(24(31-35-25)23-19(28)7-4-8-20(23)29)13-34-17-9-10-21-22(12-17)36-26(30-21)15-5-3-6-16(11-15)27(32)33/h3-12,14H,13H2,1-2H3,(H,32,33)
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n/an/an/an/a 410n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297948
PNG
(3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2C(=O)N(CCc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O5/c1-16(2)27-22(26(32-38-27)25-23(30)7-4-8-24(25)31)15-37-20-9-10-21-17(14-20)11-12-33(28(21)34)19-6-3-5-18(13-19)29(35)36/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,35,36)
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n/an/an/an/a 710n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297949
PNG
(3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2CN(C(=O)Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O5/c1-16(2)28-22(27(32-38-28)26-23(30)7-4-8-24(26)31)15-37-21-10-9-18-14-33(25(34)13-19(18)12-21)20-6-3-5-17(11-20)29(35)36/h3-12,16H,13-15H2,1-2H3,(H,35,36)
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n/an/an/an/a 1.10E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297952
PNG
(3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)is...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)7-4-8-24(26)31)16-36-21-9-10-25-19(14-21)11-12-33(25)15-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)
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n/an/an/an/a 320n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297952
PNG
(3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)is...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)7-4-8-24(26)31)16-36-21-9-10-25-19(14-21)11-12-33(25)15-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)
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n/an/an/an/a 210n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297955
PNG
(3-{[5-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(ccc2c1)S(=O)(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2N2O6S/c1-16(2)27-21(26(31-38-27)25-22(29)7-4-8-23(25)30)15-37-19-9-10-24-17(13-19)11-12-32(24)39(35,36)20-6-3-5-18(14-20)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)
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n/an/an/an/a 160n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297957
PNG
(3-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)cnc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H23Cl2N3O4/c1-16(2)27-20(26(32-37-27)25-21(29)7-4-8-22(25)30)14-36-19-9-10-24-23(12-19)31-15-33(24)13-17-5-3-6-18(11-17)28(34)35/h3-12,15-16H,13-14H2,1-2H3,(H,34,35)
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n/an/an/an/a 1.40E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM21724
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
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n/an/an/an/a 59n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297940
PNG
(4-[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2sc(cc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)4-3-5-22(25)30)14-34-19-10-11-23-18(12-19)13-24(36-23)16-6-8-17(9-7-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
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n/an/an/an/a 280n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297941
PNG
(3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)iso...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-10-9-17-12-23(36-24(17)13-19)16-5-3-6-18(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297956
PNG
(3-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(ccc2c1)C(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H22Cl2N2O5/c1-16(2)27-21(26(32-38-27)25-22(30)7-4-8-23(25)31)15-37-20-9-10-24-17(14-20)11-12-33(24)28(34)18-5-3-6-19(13-18)29(35)36/h3-14,16H,15H2,1-2H3,(H,35,36)
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n/an/an/an/a 150n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297958
PNG
(3-{[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2c(Nc3cccc(c3)C(O)=O)cccc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H24Cl2N2O4/c1-17(2)29-23(28(34-38-29)27-24(31)9-5-10-25(27)32)16-37-21-12-13-22-18(15-21)6-4-11-26(22)33-20-8-3-7-19(14-20)30(35)36/h3-15,17,33H,16H2,1-2H3,(H,35,36)
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n/an/an/an/a 320n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297958
PNG
(3-{[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2c(Nc3cccc(c3)C(O)=O)cccc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H24Cl2N2O4/c1-17(2)29-23(28(34-38-29)27-24(31)9-5-10-25(27)32)16-37-21-12-13-22-18(15-21)6-4-11-26(22)33-20-8-3-7-19(14-20)30(35)36/h3-15,17,33H,16H2,1-2H3,(H,35,36)
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n/an/an/an/a 81n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297959
PNG
(3-[(2-{2-[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)...)
Show SMILES CC(C)c1onc(c1CCc1nc2cccc(Nc3cccc(c3)C(O)=O)c2o1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H23Cl2N3O4/c1-15(2)26-18(25(33-37-26)24-19(29)8-4-9-20(24)30)12-13-23-32-22-11-5-10-21(27(22)36-23)31-17-7-3-6-16(14-17)28(34)35/h3-11,14-15,31H,12-13H2,1-2H3,(H,34,35)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297942
PNG
(4-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)4-3-5-22(25)30)14-34-19-11-10-18-12-23(36-24(18)13-19)16-6-8-17(9-7-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297949
PNG
(3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2CN(C(=O)Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O5/c1-16(2)28-22(27(32-38-28)26-23(30)7-4-8-24(26)31)15-37-21-10-9-18-14-33(25(34)13-19(18)12-21)20-6-3-5-17(11-20)29(35)36/h3-12,16H,13-15H2,1-2H3,(H,35,36)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297955
PNG
(3-{[5-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(ccc2c1)S(=O)(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2N2O6S/c1-16(2)27-21(26(31-38-27)25-22(29)7-4-8-23(25)30)15-37-19-9-10-24-17(13-19)11-12-32(24)39(35,36)20-6-3-5-18(14-20)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)
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n/an/an/an/a 1.30E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297948
PNG
(3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2C(=O)N(CCc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O5/c1-16(2)27-22(26(32-38-27)25-23(30)7-4-8-24(25)31)15-37-20-9-10-21-17(14-20)11-12-33(28(21)34)19-6-3-5-18(13-19)29(35)36/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,35,36)
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n/an/an/an/a 8.30E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297951
PNG
(3-(2-{2-[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1CCc1nc2cc(ccc2o1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2N2O4/c1-15(2)27-19(26(32-36-27)25-20(29)7-4-8-21(25)30)10-12-24-31-22-14-17(9-11-23(22)35-24)16-5-3-6-18(13-16)28(33)34/h3-9,11,13-15H,10,12H2,1-2H3,(H,33,34)
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n/an/an/an/a 1.20E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297956
PNG
(3-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(ccc2c1)C(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H22Cl2N2O5/c1-16(2)27-21(26(32-38-27)25-22(30)7-4-8-23(25)31)15-37-20-9-10-24-17(14-20)11-12-33(24)28(34)18-5-3-6-19(13-18)29(35)36/h3-14,16H,15H2,1-2H3,(H,35,36)
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n/an/an/an/a 860n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297940
PNG
(4-[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2sc(cc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)4-3-5-22(25)30)14-34-19-10-11-23-18(12-19)13-24(36-23)16-6-8-17(9-7-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
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n/an/an/an/a 160n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297941
PNG
(3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)iso...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-10-9-17-12-23(36-24(17)13-19)16-5-3-6-18(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
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n/an/an/an/a 140n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297943
PNG
(3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2nc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H20Cl2N2O4S/c1-14(2)25-18(24(31-35-25)23-19(28)7-4-8-20(23)29)13-34-17-9-10-21-22(12-17)36-26(30-21)15-5-3-6-16(11-15)27(32)33/h3-12,14H,13H2,1-2H3,(H,32,33)
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n/an/an/an/a 410n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297944
PNG
(3-[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2[nH]c(cc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2N2O4/c1-15(2)27-20(26(32-36-27)25-21(29)7-4-8-22(25)30)14-35-19-9-10-23-18(12-19)13-24(31-23)16-5-3-6-17(11-16)28(33)34/h3-13,15,31H,14H2,1-2H3,(H,33,34)
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n/an/an/an/a 630n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297946
PNG
(4-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)4-3-5-26(27)32)16-36-23-13-12-21-14-20(10-11-22(21)15-23)18-6-8-19(9-7-18)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35)
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n/an/an/an/a 980n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297947
PNG
(3-[5-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2C(=O)N(Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2N2O5/c1-15(2)26-21(25(31-37-26)24-22(29)7-4-8-23(24)30)14-36-19-9-10-20-17(12-19)13-32(27(20)33)18-6-3-5-16(11-18)28(34)35/h3-12,15H,13-14H2,1-2H3,(H,34,35)
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n/an/an/an/a 670n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297953
PNG
(4-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(Cc3ccc(cc3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)4-3-5-24(26)31)16-36-21-10-11-25-20(14-21)12-13-33(25)15-18-6-8-19(9-7-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)
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n/an/an/an/a 160n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297953
PNG
(4-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2n(Cc3ccc(cc3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)4-3-5-24(26)31)16-36-21-10-11-25-20(14-21)12-13-33(25)15-18-6-8-19(9-7-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)
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n/an/an/an/a 330n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297954
PNG
(3-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2c(Cc3cccc(c3)C(O)=O)c[nH]c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-16(2)28-22(27(33-37-28)26-23(30)7-4-8-24(26)31)15-36-20-9-10-21-19(14-32-25(21)13-20)12-17-5-3-6-18(11-17)29(34)35/h3-11,13-14,16,32H,12,15H2,1-2H3,(H,34,35)
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n/an/an/an/a 590n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297944
PNG
(3-[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc2[nH]c(cc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2N2O4/c1-15(2)27-20(26(32-36-27)25-21(29)7-4-8-22(25)30)14-35-19-9-10-23-18(12-19)13-24(31-23)16-5-3-6-17(11-16)28(33)34/h3-13,15,31H,14H2,1-2H3,(H,33,34)
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n/an/an/an/a 480n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297950
PNG
(3-[2-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1CNc1nc2ccc(cc2s1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H21Cl2N3O3S/c1-14(2)25-18(24(32-35-25)23-19(28)7-4-8-20(23)29)13-30-27-31-21-10-9-16(12-22(21)36-27)15-5-3-6-17(11-15)26(33)34/h3-12,14H,13H2,1-2H3,(H,30,31)(H,33,34)
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n/an/an/an/a 960n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297954
PNG
(3-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-...)
Show SMILES CC(C)c1onc(c1COc1ccc2c(Cc3cccc(c3)C(O)=O)c[nH]c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl2N2O4/c1-16(2)28-22(27(33-37-28)26-23(30)7-4-8-24(26)31)15-36-20-9-10-21-19(14-32-25(21)13-20)12-17-5-3-6-18(11-17)29(34)35/h3-11,13-14,16,32H,12,15H2,1-2H3,(H,34,35)
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n/an/an/an/a 930n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50297945
PNG
(3-(6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-23-12-11-20-13-19(9-10-21(20)15-23)18-5-3-6-22(14-18)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35)
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n/an/an/an/a 130n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.062
BindingDB Entry DOI: 10.7270/Q26H4HF6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%