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PubMed code 28749691

Compile data set for download or QSAR
Found 48 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))		BDBM50258064
PNG
(CHEMBL4099199)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H18ClN3/c1-15-10-11-19-24-20(17-8-5-9-18(22)12-17)21(25(19)14-15)23-13-16-6-3-2-4-7-16/h2-12,14,23H,13H2,1H3
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n/an/an/an/a 16n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258168
PNG
(CHEMBL4081409)
Show SMILES Clc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C18H14ClN3S/c19-14-8-9-16-21-17(15-7-4-10-23-15)18(22(16)12-14)20-11-13-5-2-1-3-6-13/h1-10,12,20H,11H2
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n/an/an/an/a 160n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258070
PNG
(CHEMBL4089680)
Show SMILES Cc1ccc2nc(\C=C\c3ccccc3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C23H21N3/c1-18-12-15-22-25-21(14-13-19-8-4-2-5-9-19)23(26(22)17-18)24-16-20-10-6-3-7-11-20/h2-15,17,24H,16H2,1H3/b14-13+
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n/an/an/an/a 1.16E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258072
PNG
(CHEMBL4105108)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H23N3/c1-20-12-17-25-29-26(24-15-13-23(14-16-24)22-10-6-3-7-11-22)27(30(25)19-20)28-18-21-8-4-2-5-9-21/h2-17,19,28H,18H2,1H3
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n/an/an/an/a 81n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258078
PNG
(CHEMBL4067513)
Show SMILES Cc1cccc(c1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Show InChI InChI=1S/C22H21N3/c1-16-7-6-10-19(13-16)21-22(23-14-18-8-4-3-5-9-18)25-15-17(2)11-12-20(25)24-21/h3-13,15,23H,14H2,1-2H3
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n/an/an/an/a 180n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258096
PNG
(CHEMBL4071104)
Show SMILES C[C@@H](Nc1c(nc2ccc(C)cn12)-c1cccs1)c1ccccc1 |r|
Show InChI InChI=1S/C20H19N3S/c1-14-10-11-18-22-19(17-9-6-12-24-17)20(23(18)13-14)21-15(2)16-7-4-3-5-8-16/h3-13,15,21H,1-2H3/t15-/m1/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258109
PNG
(CHEMBL4077016)
Show SMILES COc1ccc(CNc2c(nc3ccc(Cl)cn23)-c2cc(Cl)ccn2)cc1
Show InChI InChI=1S/C20H16Cl2N4O/c1-27-16-5-2-13(3-6-16)11-24-20-19(17-10-14(21)8-9-23-17)25-18-7-4-15(22)12-26(18)20/h2-10,12,24H,11H2,1H3
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n/an/an/an/a 0.300n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258114
PNG
(CHEMBL4078767)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cc(Cl)ccn1
Show InChI InChI=1S/C20H17ClN4/c1-14-7-8-18-24-19(17-11-16(21)9-10-22-17)20(25(18)13-14)23-12-15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3
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n/an/an/an/a 1.5n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258118
PNG
(CHEMBL4077398)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccncc1
Show InChI InChI=1S/C20H18N4/c1-15-7-8-18-23-19(17-9-11-21-12-10-17)20(24(18)14-15)22-13-16-5-3-2-4-6-16/h2-12,14,22H,13H2,1H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258123
PNG
(CHEMBL4066026)
Show SMILES Cc1ccc2nc(-c3cccn3C)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C20H20N4/c1-15-10-11-18-22-19(17-9-6-12-23(17)2)20(24(18)14-15)21-13-16-7-4-3-5-8-16/h3-12,14,21H,13H2,1-2H3
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n/an/an/an/a 1.10E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258124
PNG
(CHEMBL4075862)
Show SMILES Cc1ccc2nc(-c3ccoc3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C19H17N3O/c1-14-7-8-17-21-18(16-9-10-23-13-16)19(22(17)12-14)20-11-15-5-3-2-4-6-15/h2-10,12-13,20H,11H2,1H3
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n/an/an/an/a 1.90E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258065
PNG
(CHEMBL4080439)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H18BrN3/c1-15-7-12-19-24-20(17-8-10-18(22)11-9-17)21(25(19)14-15)23-13-16-5-3-2-4-6-16/h2-12,14,23H,13H2,1H3
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n/an/an/an/a 430n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258067
PNG
(CHEMBL4061996)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H21N3O2/c1-16-7-10-21-25-22(18-8-9-19-20(13-18)28-12-11-27-19)23(26(21)15-16)24-14-17-5-3-2-4-6-17/h2-10,13,15,24H,11-12,14H2,1H3
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n/an/an/an/a 170n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258077
PNG
(CHEMBL4087252)
Show SMILES Cc1ccc(cc1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Show InChI InChI=1S/C22H21N3/c1-16-8-11-19(12-9-16)21-22(23-14-18-6-4-3-5-7-18)25-15-17(2)10-13-20(25)24-21/h3-13,15,23H,14H2,1-2H3
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n/an/an/an/a 130n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258105
PNG
(CHEMBL4100621)
Show SMILES Cc1ccc2nc(-c3cccs3)c(NCCc3ccccc3)n2c1
Show InChI InChI=1S/C20H19N3S/c1-15-9-10-18-22-19(17-8-5-13-24-17)20(23(18)14-15)21-12-11-16-6-3-2-4-7-16/h2-10,13-14,21H,11-12H2,1H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258115
PNG
(CHEMBL4103042)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cccc(Cl)n1
Show InChI InChI=1S/C20H17ClN4/c1-14-10-11-18-24-19(16-8-5-9-17(21)23-16)20(25(18)13-14)22-12-15-6-3-2-4-7-15/h2-11,13,22H,12H2,1H3
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n/an/an/an/a 80n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258116
PNG
(CHEMBL4102799)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccccn1
Show InChI InChI=1S/C20H18N4/c1-15-10-11-18-23-19(17-9-5-6-12-21-17)20(24(18)14-15)22-13-16-7-3-2-4-8-16/h2-12,14,22H,13H2,1H3
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n/an/an/an/a 20n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258127
PNG
(CHEMBL4077209)
Show SMILES Cc1csc(n1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Show InChI InChI=1S/C19H18N4S/c1-13-8-9-16-22-17(19-21-14(2)12-24-19)18(23(16)11-13)20-10-15-6-4-3-5-7-15/h3-9,11-12,20H,10H2,1-2H3
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n/an/an/an/a 220n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258147
PNG
(CHEMBL4084069)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cnccn1
Show InChI InChI=1S/C19H17N5/c1-14-7-8-17-23-18(16-12-20-9-10-21-16)19(24(17)13-14)22-11-15-5-3-2-4-6-15/h2-10,12-13,22H,11H2,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258166
PNG
(CHEMBL4062465)
Show SMILES Cc1ccn2c(NCCCCc3ccccc3)c(nc2c1)-c1cccs1
Show InChI InChI=1S/C22H23N3S/c1-17-12-14-25-20(16-17)24-21(19-11-7-15-26-19)22(25)23-13-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,11-12,14-16,23H,5-6,10,13H2,1H3
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n/an/an/an/a 750n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258080
PNG
(CHEMBL4059715)
Show SMILES COc1ccc(CNc2c(nc3ccc(C)cn23)-c2cccs2)cc1
Show InChI InChI=1S/C20H19N3OS/c1-14-5-10-18-22-19(17-4-3-11-25-17)20(23(18)13-14)21-12-15-6-8-16(24-2)9-7-15/h3-11,13,21H,12H2,1-2H3
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n/an/an/an/a 170n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258081
PNG
(CHEMBL4098158)
Show SMILES C[C@H](Nc1c(nc2ccc(C)cn12)-c1cccs1)c1ccccc1 |r|
Show InChI InChI=1S/C20H19N3S/c1-14-10-11-18-22-19(17-9-6-12-24-17)20(23(18)13-14)21-15(2)16-7-4-3-5-8-16/h3-13,15,21H,1-2H3/t15-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258106
PNG
(CHEMBL4074623)
Show SMILES C(Nc1c(nc2ccc(cn12)-c1ccccc1)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C24H19N3S/c1-3-8-18(9-4-1)16-25-24-23(21-12-7-15-28-21)26-22-14-13-20(17-27(22)24)19-10-5-2-6-11-19/h1-15,17,25H,16H2
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n/an/an/an/a 200n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258111
PNG
(CHEMBL4062201)
Show SMILES CCc1ccn2c(NCc3ccccc3)c(nc2c1)-c1cccs1
Show InChI InChI=1S/C20H19N3S/c1-2-15-10-11-23-18(13-15)22-19(17-9-6-12-24-17)20(23)21-14-16-7-4-3-5-8-16/h3-13,21H,2,14H2,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258112
PNG
(CHEMBL4069481)
Show SMILES Cc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C19H17N3S/c1-14-9-10-17-21-18(16-8-5-11-23-16)19(22(17)13-14)20-12-15-6-3-2-4-7-15/h2-11,13,20H,12H2,1H3
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n/an/an/an/a 540n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258126
PNG
(CHEMBL4060783)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H17ClFN3/c1-14-7-10-19-25-20(16-8-9-18(23)17(22)11-16)21(26(19)13-14)24-12-15-5-3-2-4-6-15/h2-11,13,24H,12H2,1H3
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n/an/an/an/a 26n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258165
PNG
(CHEMBL4081655)
Show SMILES Cc1ccc(CNc2c(nc3ccc(C)cn23)-c2cccs2)cc1
Show InChI InChI=1S/C20H19N3S/c1-14-5-8-16(9-6-14)12-21-20-19(17-4-3-11-24-17)22-18-10-7-15(2)13-23(18)20/h3-11,13,21H,12H2,1-2H3
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n/an/an/an/a 220n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258069
PNG
(CHEMBL4083776)
Show SMILES COc1cccc(c1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Show InChI InChI=1S/C22H21N3O/c1-16-11-12-20-24-21(18-9-6-10-19(13-18)26-2)22(25(20)15-16)23-14-17-7-4-3-5-8-17/h3-13,15,23H,14H2,1-2H3
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n/an/an/an/a 250n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258071
PNG
(CHEMBL4068555)
Show SMILES Cc1ccc2nc(CCc3ccccc3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C23H23N3/c1-18-12-15-22-25-21(14-13-19-8-4-2-5-9-19)23(26(22)17-18)24-16-20-10-6-3-7-11-20/h2-12,15,17,24H,13-14,16H2,1H3
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n/an/an/an/a 310n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258079
PNG
(CHEMBL4066275)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-16-12-13-19-23-20(18-10-6-3-7-11-18)21(24(19)15-16)22-14-17-8-4-2-5-9-17/h2-13,15,22H,14H2,1H3
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n/an/an/an/a 280n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258109
PNG
(CHEMBL4077016)
Show SMILES COc1ccc(CNc2c(nc3ccc(Cl)cn23)-c2cc(Cl)ccn2)cc1
Show InChI InChI=1S/C20H16Cl2N4O/c1-27-16-5-2-13(3-6-16)11-24-20-19(17-10-14(21)8-9-23-17)25-18-7-4-15(22)12-26(18)20/h2-10,12,24H,11H2,1H3
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n/an/an/a 37n/an/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FXR (unknown origin) ligand binding domain by ITC assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258117
PNG
(CHEMBL4079659)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cccnc1
Show InChI InChI=1S/C20H18N4/c1-15-9-10-18-23-19(17-8-5-11-21-13-17)20(24(18)14-15)22-12-16-6-3-2-4-7-16/h2-11,13-14,22H,12H2,1H3
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n/an/an/an/a 520n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258145
PNG
(CHEMBL4076011)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C20H17ClN4/c1-14-7-10-18-24-19(17-9-8-16(21)12-22-17)20(25(18)13-14)23-11-15-5-3-2-4-6-15/h2-10,12-13,23H,11H2,1H3
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n/an/an/an/a 7.40n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258164
PNG
(CHEMBL4094934)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccccc1C
Show InChI InChI=1S/C22H21N3/c1-16-12-13-20-24-21(19-11-7-6-8-17(19)2)22(25(20)15-16)23-14-18-9-4-3-5-10-18/h3-13,15,23H,14H2,1-2H3
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n/an/an/an/a 260n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258113
PNG
(CHEMBL4096700)
Show SMILES C(Nc1c(nc2ccccn12)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C18H15N3S/c1-2-7-14(8-3-1)13-19-18-17(15-9-6-12-22-15)20-16-10-4-5-11-21(16)18/h1-12,19H,13H2
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n/an/an/an/a 4.00E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258157
PNG
(CHEMBL4075737)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3/c1-15-7-12-19-24-20(17-8-10-18(22)11-9-17)21(25(19)14-15)23-13-16-5-3-2-4-6-16/h2-12,14,23H,13H2,1H3
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n/an/an/an/a 240n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258068
PNG
(CHEMBL4077083)
Show SMILES COc1ccc(cc1OC)-c1nc2ccc(C)cn2c1NCc1ccccc1
Show InChI InChI=1S/C23H23N3O2/c1-16-9-12-21-25-22(18-10-11-19(27-2)20(13-18)28-3)23(26(21)15-16)24-14-17-7-5-4-6-8-17/h4-13,15,24H,14H2,1-3H3
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n/an/an/an/a 910n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258108
PNG
(CHEMBL4091689)
Show SMILES Brc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C18H14BrN3S/c19-14-8-9-16-21-17(15-7-4-10-23-15)18(22(16)12-14)20-11-13-5-2-1-3-6-13/h1-10,12,20H,11H2
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n/an/an/an/a 500n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258125
PNG
(CHEMBL4075395)
Show SMILES Cc1ccc2nc(-c3ccsc3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C19H17N3S/c1-14-7-8-17-21-18(16-9-10-23-13-16)19(22(17)12-14)20-11-15-5-3-2-4-6-15/h2-10,12-13,20H,11H2,1H3
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n/an/an/an/a 830n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258156
PNG
(CHEMBL4077285)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H17Cl2N3/c1-14-7-10-19-25-20(16-8-9-17(22)18(23)11-16)21(26(19)13-14)24-12-15-5-3-2-4-6-15/h2-11,13,24H,12H2,1H3
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n/an/an/an/a 24n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258162
PNG
(CHEMBL4101773)
Show SMILES COc1ccc(cc1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Show InChI InChI=1S/C22H21N3O/c1-16-8-13-20-24-21(18-9-11-19(26-2)12-10-18)22(25(20)15-16)23-14-17-6-4-3-5-7-17/h3-13,15,23H,14H2,1-2H3
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n/an/an/an/a 1.27E+3n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258163
PNG
(CHEMBL4079371)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H21N3/c1-18-11-14-23-27-24(22-13-12-20-9-5-6-10-21(20)15-22)25(28(23)17-18)26-16-19-7-3-2-4-8-19/h2-15,17,26H,16H2,1H3
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n/an/an/an/a 210n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258097
PNG
(CHEMBL4090443)
Show SMILES Cc1ccc2nc(-c3cccs3)c(Cc3ccccc3)n2c1
Show InChI InChI=1S/C19H16N2S/c1-14-9-10-18-20-19(17-8-5-11-22-17)16(21(18)13-14)12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3
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n/an/an/an/a 810n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258104
PNG
(CHEMBL4082610)
Show SMILES Cc1ccc2nc(-c3cccs3)c(NCCCc3ccccc3)n2c1
Show InChI InChI=1S/C21H21N3S/c1-16-11-12-19-23-20(18-10-6-14-25-18)21(24(19)15-16)22-13-5-9-17-7-3-2-4-8-17/h2-4,6-8,10-12,14-15,22H,5,9,13H2,1H3
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n/an/an/an/a 230n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258107
PNG
(CHEMBL4070813)
Show SMILES FC(F)(F)c1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C19H14F3N3S/c20-19(21,22)14-8-9-16-24-17(15-7-4-10-26-15)18(25(16)12-14)23-11-13-5-2-1-3-6-13/h1-10,12,23H,11H2
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n/an/an/an/a 460n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258144
PNG
(CHEMBL4064512)
Show SMILES Cc1ccc2nc(-c3ccco3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C19H17N3O/c1-14-9-10-17-21-18(16-8-5-11-23-16)19(22(17)13-14)20-12-15-6-3-2-4-7-15/h2-11,13,20H,12H2,1H3
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n/an/an/an/a 560n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258167
PNG
(CHEMBL4095078)
Show SMILES COc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
Show InChI InChI=1S/C19H17N3OS/c1-23-15-9-10-17-21-18(16-8-5-11-24-16)19(22(17)13-15)20-12-14-6-3-2-4-7-14/h2-11,13,20H,12H2,1H3
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n/an/an/an/a 830n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50258066
PNG
(CHEMBL4078761)
Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN3/c1-15-7-12-19-24-20(17-8-10-18(22)11-9-17)21(25(19)14-15)23-13-16-5-3-2-4-6-16/h2-12,14,23H,13H2,1H3
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n/an/an/an/a 170n/an/an/an/a



Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany.

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay

J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%