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PubMed code 26337021

Compile data set for download or QSAR
Found 40 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))		BDBM50118026
PNG
(CHEMBL3613417)
Show SMILES CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O
Show InChI InChI=1S/C22H22N4O2S/c1-13(2)28-21-9-17-18(10-20(21)27-4)23-12-24-22(17)26-16-7-5-6-15(8-16)19-11-29-14(3)25-19/h5-13H,1-4H3,(H,23,24,26)
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n/an/a 600n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118089
PNG
(CHEMBL3613434)
Show SMILES CN(C)c1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C19H22Cl2N2O2/c1-19(2,3)13-8-11(6-7-16(13)24)22-18(25)17-14(20)9-12(23(4)5)10-15(17)21/h6-10,24H,1-5H3,(H,22,25)
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n/an/a 1.40E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118088
PNG
(CHEMBL3613433)
Show SMILES CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NC3CCCCC3)cc2Cl)ccc1O
Show InChI InChI=1S/C23H28Cl2N2O2/c1-23(2,3)17-11-15(9-10-20(17)28)27-22(29)21-18(24)12-16(13-19(21)25)26-14-7-5-4-6-8-14/h9-14,26,28H,4-8H2,1-3H3,(H,27,29)
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n/an/a 2.50E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118082
PNG
(CHEMBL3613427)
Show SMILES CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3cccnc3)cc2Cl)ccc1O
Show InChI InChI=1S/C23H23Cl2N3O2/c1-23(2,3)17-9-15(6-7-20(17)29)28-22(30)21-18(24)10-16(11-19(21)25)27-13-14-5-4-8-26-12-14/h4-12,27,29H,13H2,1-3H3,(H,28,30)
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n/an/a 3.60E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118101
PNG
(CHEMBL3613438)
Show SMILES CN(C)c1cc(Cl)c(C(=O)N(C)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C20H24Cl2N2O2/c1-20(2,3)14-9-12(7-8-17(14)25)24(6)19(26)18-15(21)10-13(23(4)5)11-16(18)22/h7-11,25H,1-6H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118087
PNG
(CHEMBL3613432)
Show SMILES CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NC3CCCC3)cc2Cl)ccc1O
Show InChI InChI=1S/C22H26Cl2N2O2/c1-22(2,3)16-10-14(8-9-19(16)27)26-21(28)20-17(23)11-15(12-18(20)24)25-13-6-4-5-7-13/h8-13,25,27H,4-7H2,1-3H3,(H,26,28)
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n/an/a 5.00E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118081
PNG
(CHEMBL3613426)
Show SMILES CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O
Show InChI InChI=1S/C17H18Cl2N2O2/c1-17(2,3)11-8-10(4-5-14(11)22)21-16(23)15-12(18)6-9(20)7-13(15)19/h4-8,22H,20H2,1-3H3,(H,21,23)
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n/an/a 5.20E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118023
PNG
(CHEMBL3613414)
Show SMILES CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(cc2Cl)[N+]([O-])=O)ccc1O
Show InChI InChI=1S/C22H22N4O2S/c1-4-27-19-10-17-18(11-20(19)28-5-2)23-13-24-21(17)26-16-8-6-7-15(9-16)22-25-14(3)12-29-22/h6-13H,4-5H2,1-3H3,(H,23,24,26)
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n/an/a 5.90E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118102
PNG
(CHEMBL3613439)
Show SMILES CN(C)c1cc(Cl)c(C(=O)N(Cc2cccnc2)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O2/c1-25(2,3)19-11-17(8-9-22(19)31)30(15-16-7-6-10-28-14-16)24(32)23-20(26)12-18(29(4)5)13-21(23)27/h6-14,31H,15H2,1-5H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118025
PNG
(CHEMBL3613416)
Show SMILES CC(C)(C)c1cc(OC(=O)c2ccc(N)cc2Cl)ccc1O
Show InChI InChI=1S/C23H24N4O3S/c1-5-29-21-10-16-17(11-22(21)30-6-2)24-13-25-23(16)27-18-9-15(7-8-20(18)28-4)19-12-31-14(3)26-19/h7-13H,5-6H2,1-4H3,(H,24,25,27)
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n/an/a 7.20E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118084
PNG
(CHEMBL3613429)
Show SMILES CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3cccs3)cc2Cl)ccc1O
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-22(2,3)16-9-13(6-7-19(16)27)26-21(28)20-17(23)10-14(11-18(20)24)25-12-15-5-4-8-29-15/h4-11,25,27H,12H2,1-3H3,(H,26,28)
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n/an/a 8.60E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118022
PNG
(CHEMBL3613413)
Show SMILES CC(C)(C)c1cc(OC(=O)c2ccc(cc2Cl)[N+]([O-])=O)ccc1O
Show InChI InChI=1S/C23H24N4O2S/c1-5-28-21-10-18-19(11-22(21)29-14(2)3)24-13-25-23(18)27-17-8-6-7-16(9-17)20-12-30-15(4)26-20/h6-14H,5H2,1-4H3,(H,24,25,27)
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n/an/a 8.80E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118083
PNG
(CHEMBL3613428)
Show SMILES CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3ccncc3)cc2Cl)ccc1O
Show InChI InChI=1S/C23H23Cl2N3O2/c1-23(2,3)17-10-15(4-5-20(17)29)28-22(30)21-18(24)11-16(12-19(21)25)27-13-14-6-8-26-9-7-14/h4-12,27,29H,13H2,1-3H3,(H,28,30)
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n/an/a 9.80E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118021
PNG
(CHEMBL3613277)
Show SMILES CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2Cl)ccc1O
Show InChI InChI=1S/C22H22N4O3S/c1-4-28-19-10-16-17(11-20(19)29-5-2)23-13-24-21(16)25-15-8-6-7-14(9-15)18-12-30-22(26-18)27-3/h6-13H,4-5H2,1-3H3,(H,23,24,25)
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n/an/a 1.02E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118012
PNG
(CHEMBL3613412)
Show SMILES CC(C)(C)c1cc(OC(=O)c2ccc(cc2)[N+]([O-])=O)ccc1O
Show InChI InChI=1S/C22H22N4O3S/c1-14-25-19(12-30-14)15-5-4-6-16(9-15)26-22-17-10-21(29-8-7-27-2)20(28-3)11-18(17)23-13-24-22/h4-6,9-13H,7-8H2,1-3H3,(H,23,24,26)
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n/an/a 1.27E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118073
PNG
(CHEMBL3613418)
Show SMILES CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
Show InChI InChI=1S/C17H17Cl2NO2/c1-17(2,3)13-9-11(5-7-15(13)21)20-16(22)12-6-4-10(18)8-14(12)19/h4-9,21H,1-3H3,(H,20,22)
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n/an/a 1.36E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118085
PNG
(CHEMBL3613430)
Show SMILES CNc1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C18H20Cl2N2O2/c1-18(2,3)12-7-10(5-6-15(12)23)22-17(24)16-13(19)8-11(21-4)9-14(16)20/h5-9,21,23H,1-4H3,(H,22,24)
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n/an/a 1.39E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118080
PNG
(CHEMBL3613425)
Show SMILES CC(=O)Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)(C)C
Show InChI InChI=1S/C19H19Cl2NO3/c1-11(23)25-17-8-6-13(10-15(17)19(2,3)4)22-18(24)14-7-5-12(20)9-16(14)21/h5-10H,1-4H3,(H,22,24)
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n/an/a 1.55E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118086
PNG
(CHEMBL3613431)
Show SMILES CCNc1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C19H22Cl2N2O2/c1-5-22-12-9-14(20)17(15(21)10-12)18(25)23-11-6-7-16(24)13(8-11)19(2,3)4/h6-10,22,24H,5H2,1-4H3,(H,23,25)
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n/an/a 2.87E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118024
PNG
(CHEMBL3613415)
Show SMILES CC(C)(C)c1cc(OC(=O)c2ccc(N)cc2)ccc1O
Show InChI InChI=1S/C23H21F3N4O2S/c1-4-31-19-10-16-17(11-20(19)32-5-2)29-22(23(24,25)26)30-21(16)28-15-8-6-7-14(9-15)18-12-33-13(3)27-18/h6-12H,4-5H2,1-3H3,(H,28,29,30)
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n/an/a 3.42E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
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 8.94E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118075
PNG
(CHEMBL3613420)
Show SMILES CC(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
Show InChI InChI=1S/C16H15Cl2NO2/c1-9(2)13-8-11(4-6-15(13)20)19-16(21)12-5-3-10(17)7-14(12)18/h3-9,20H,1-2H3,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118017
PNG
(CHEMBL3613407)
Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C24H24N4O2S/c1-3-29-21-11-18-19(12-22(21)30-4-2)25-14-26-23(18)27-17-7-5-6-16(10-17)20-13-31-24(28-20)15-8-9-15/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,25,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118090
PNG
(CHEMBL3613435)
Show SMILES CN(C1CCCCC1)c1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C24H30Cl2N2O2/c1-24(2,3)18-12-15(10-11-21(18)29)27-23(30)22-19(25)13-17(14-20(22)26)28(4)16-8-6-5-7-9-16/h10-14,16,29H,5-9H2,1-4H3,(H,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118077
PNG
(CHEMBL3613422)
Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-10(3-5-13(8)18)17-14(19)11-4-2-9(15)7-12(11)16/h2-7,18H,1H3,(H,17,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118020
PNG
(CHEMBL3613278)
Show SMILES CC(C)(C)c1cc(OC(=O)\C=C\c2ccccc2)ccc1O
Show InChI InChI=1S/C24H24N4O4S/c1-4-31-20-10-17-18(11-21(20)32-5-2)27-22(12-23(29)30)28-24(17)26-16-8-6-7-15(9-16)19-13-33-14(3)25-19/h6-11,13H,4-5,12H2,1-3H3,(H,29,30)(H,26,27,28)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118018
PNG
(CHEMBL3613279)
Show SMILES CC(C)(C)c1cc(OC(=O)c2ccco2)ccc1O
Show InChI InChI=1S/C24H25ClN4O2S/c1-4-30-21-12-18-19(13-22(21)31-5-2)28-23(9-10-25)29-24(18)27-17-8-6-7-16(11-17)20-14-32-15(3)26-20/h6-8,11-14H,4-5,9-10H2,1-3H3,(H,27,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118013
PNG
(CHEMBL3613411)
Show SMILES COc1ccccc1C(=O)Oc1ccc(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)22-27-17(11-31-22)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118076
PNG
(CHEMBL3613421)
Show SMILES CCc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
Show InChI InChI=1S/C15H13Cl2NO2/c1-2-9-7-11(4-6-14(9)19)18-15(20)12-5-3-10(16)8-13(12)17/h3-8,19H,2H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118103
PNG
(CHEMBL3613440)
Show SMILES CN(C)c1cc(Cl)c(C(=O)N(CC2CCCCC2)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C26H34Cl2N2O2/c1-26(2,3)20-13-18(11-12-23(20)31)30(16-17-9-7-6-8-10-17)25(32)24-21(27)14-19(29(4)5)15-22(24)28/h11-15,17,31H,6-10,16H2,1-5H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118074
PNG
(CHEMBL3613419)
Show SMILES CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C21H25Cl2NO2/c1-20(2,3)15-10-13(11-16(18(15)25)21(4,5)6)24-19(26)14-8-7-12(22)9-17(14)23/h7-11,25H,1-6H3,(H,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118092
PNG
(CHEMBL3613437)
Show SMILES CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(cc2Cl)N2CCNCC2)ccc1O
Show InChI InChI=1S/C21H25Cl2N3O2/c1-21(2,3)15-10-13(4-5-18(15)27)25-20(28)19-16(22)11-14(12-17(19)23)26-8-6-24-7-9-26/h4-5,10-12,24,27H,6-9H2,1-3H3,(H,25,28)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118016
PNG
(CHEMBL3613408)
Show SMILES CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C23H24N4O3S/c1-4-28-20-11-17-18(12-21(20)29-5-2)24-14-25-22(17)26-16-9-7-8-15(10-16)19-13-31-23(27-19)30-6-3/h7-14H,4-6H2,1-3H3,(H,24,25,26)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118091
PNG
(CHEMBL3613436)
Show SMILES CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(cc2Cl)N2CCCCC2)ccc1O
Show InChI InChI=1S/C22H26Cl2N2O2/c1-22(2,3)16-11-14(7-8-19(16)27)25-21(28)20-17(23)12-15(13-18(20)24)26-9-5-4-6-10-26/h7-8,11-13,27H,4-6,9-10H2,1-3H3,(H,25,28)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118079
PNG
(CHEMBL3613424)
Show SMILES CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC=C
Show InChI InChI=1S/C20H21Cl2NO2/c1-5-10-25-18-9-7-14(12-16(18)20(2,3)4)23-19(24)15-8-6-13(21)11-17(15)22/h5-9,11-12H,1,10H2,2-4H3,(H,23,24)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118078
PNG
(CHEMBL3613423)
Show SMILES COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)(C)C
Show InChI InChI=1S/C18H19Cl2NO2/c1-18(2,3)14-10-12(6-8-16(14)23-4)21-17(22)13-7-5-11(19)9-15(13)20/h5-10H,1-4H3,(H,21,22)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118019
PNG
(CHEMBL1548044)
Show SMILES CC(C)(C)c1cc(OC(=O)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C24H23N3O2/c1-3-28-22-14-20-21(15-23(22)29-4-2)25-16-26-24(20)27-19-12-8-11-18(13-19)17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3,(H,25,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118104
PNG
(CHEMBL3613441)
Show SMILES CN(C)c1cc(Cl)c(C(=O)N(C2CCCCC2)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C25H32Cl2N2O2/c1-25(2,3)19-13-17(11-12-22(19)30)29(16-9-7-6-8-10-16)24(31)23-20(26)14-18(28(4)5)15-21(23)27/h11-16,30H,6-10H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118015
PNG
(CHEMBL3613409)
Show SMILES CC(C)(C)c1cc(OC(=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C29H28N4O2S/c1-4-34-26-16-23-24(17-27(26)35-5-2)32-28(14-20-10-7-6-8-11-20)33-29(23)31-22-13-9-12-21(15-22)25-18-36-19(3)30-25/h6-13,15-18H,4-5,14H2,1-3H3,(H,31,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50118014
PNG
(CHEMBL3613410)
Show SMILES Cc1ccccc1C(=O)Oc1ccc(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C22H16N4S/c1-14-25-21(12-27-14)17-7-4-8-18(9-17)26-22-19-10-15-5-2-3-6-16(15)11-20(19)23-13-24-22/h2-13H,1H3,(H,23,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


Article DOI: 10.1016/j.bmc.2015.08.021
BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%