BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 947 hits of ec50 data for polymerid = 2179,50003700   
Target
(Institution)
LigandTarget
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))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50301754
PNG
(CHEMBL578970 | isopropyl 2-cyano-6-(3-fluorobenzoy...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C22H22FN3O3/c1-13(2)29-21(28)17-11-26(20(27)14-6-5-7-15(23)8-14)12-22(3,4)18-9-16(10-24)25-19(17)18/h5-9,11,13,25H,12H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 2.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at gal4-tagged human FXR-ligand binding domain expressed in human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 5289-92 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185700
PNG
(CHEMBL3822755)
Show SMILES CC(C)n1nc(cc1[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O
Show InChI InChI=1/C29H26Cl3N3O4/c1-14(2)35-25(12-24(33-35)29(36)37)19-11-18(19)17-9-8-16(10-23(17)32)38-13-20-27(34-39-28(20)15-6-7-15)26-21(30)4-3-5-22(26)31/h3-5,8-10,12,14-15,18-19H,6-7,11,13H2,1-2H3,(H,36,37)/t18-,19+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM28542
PNG
(WAY-362450 | XL335 | propan-2-yl 3-[(3,4-difluorop...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 4n/an/a7.022



Exelixis Inc.



Assay Description
The assays were performed using CV-1 African Green Monkey Kidney cells transfected with the vectors harboring human FXR, RXR, and luciferase reporter...


J Med Chem 52: 904-7 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185700
PNG
(CHEMBL3822755)
Show SMILES CC(C)n1nc(cc1[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O
Show InChI InChI=1/C29H26Cl3N3O4/c1-14(2)35-25(12-24(33-35)29(36)37)19-11-18(19)17-9-8-16(10-23(17)32)38-13-20-27(34-39-28(20)15-6-7-15)26-21(30)4-3-5-22(26)31/h3-5,8-10,12,14-15,18-19H,6-7,11,13H2,1-2H3,(H,36,37)/t18-,19+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50301755
PNG
(CHEMBL578150 | isopropyl 2-cyano-6-(4-fluorobenzoy...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H22FN3O3/c1-13(2)29-21(28)17-11-26(20(27)14-5-7-15(23)8-6-14)12-22(3,4)18-9-16(10-24)25-19(17)18/h5-9,11,13,25H,12H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at gal4-tagged human FXR-ligand binding domain expressed in human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 5289-92 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185701
PNG
(CHEMBL3822798)
Show SMILES CC(C)n1nc(cc1C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O
Show InChI InChI=1/C29H26Cl3N3O4/c1-14(2)35-25(12-24(33-35)29(36)37)19-11-18(19)17-9-8-16(10-23(17)32)38-13-20-27(34-39-28(20)15-6-7-15)26-21(30)4-3-5-22(26)31/h3-5,8-10,12,14-15,18-19H,6-7,11,13H2,1-2H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 6n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323526
PNG
(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)8-5-9-20(23)30)14-39-22-11-10-21(26(34-22)28(31,32)33)36(3)13-16-6-4-7-17(12-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50301753
PNG
(CHEMBL565728 | isopropyl 2-cyano-6-(3,4-difluorobe...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H21F2N3O3/c1-12(2)30-21(29)15-10-27(20(28)13-5-6-17(23)18(24)7-13)11-22(3,4)16-8-14(9-25)26-19(15)16/h5-8,10,12,26H,11H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at gal4-tagged human FXR-ligand binding domain expressed in human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 5289-92 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50301756
PNG
(CHEMBL568235 | isopropyl 2-cyano-6-(cyclohexanecar...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)C1CCCCC1
Show InChI InChI=1S/C22H29N3O3/c1-14(2)28-21(27)17-12-25(20(26)15-8-6-5-7-9-15)13-22(3,4)18-10-16(11-23)24-19(17)18/h10,12,14-15,24H,5-9,13H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 6.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at gal4-tagged human FXR-ligand binding domain expressed in human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 5289-92 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185715
PNG
(CHEMBL3823517)
Show SMILES OC(=O)c1cncc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C28H22Cl3N3O5/c29-21-2-1-3-22(30)24(21)25-19(26(39-33-25)15-4-5-15)12-38-18-6-7-20(23(31)9-18)28(37)13-34(14-28)17-8-16(27(35)36)10-32-11-17/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 7n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185701
PNG
(CHEMBL3822798)
Show SMILES CC(C)n1nc(cc1C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O
Show InChI InChI=1/C29H26Cl3N3O4/c1-14(2)35-25(12-24(33-35)29(36)37)19-11-18(19)17-9-8-16(10-23(17)32)38-13-20-27(34-39-28(20)15-6-7-15)26-21(30)4-3-5-22(26)31/h3-5,8-10,12,14-15,18-19H,6-7,11,13H2,1-2H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 7n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50094263
PNG
(CHEMBL3589975)
Show SMILES Cc1ccccc1-c1noc(n1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C17H24O2/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18/h7,9,12,15,17-19H,2-3,10-11,13-14,16H2,1H3/b9-7+,15-12+/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 7.20n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene...


Bioorg Med Chem 23: 3490-8 (2015)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50028447
PNG
(CHEMBL3335672)
Show SMILES COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C26H26N2O5/c1-26(2,3)18-10-8-16(9-11-18)23(29)28-22-15-20(33-4)12-13-21(22)24(30)27-19-7-5-6-17(14-19)25(31)32/h5-15H,1-4H3,(H,27,30)(H,28,29)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene ...


J Med Chem 57: 8035-55 (2014)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM28541
PNG
(Azepino[4,5-b]indole, 6l | propan-2-yl 3-[(4-fluor...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN2O3/c1-15(2)31-24(30)19-13-28(23(29)16-9-11-17(26)12-10-16)14-25(3,4)21-18-7-5-6-8-20(18)27-22(19)21/h5-13,15,27H,14H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 8n/an/a7.022



Exelixis Inc.



Assay Description
The assays were performed using CV-1 African Green Monkey Kidney cells transfected with the vectors harboring human FXR, RXR, and luciferase reporter...


J Med Chem 52: 904-7 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50301759
PNG
(CHEMBL576415 | isopropyl 2-cyano-4,4-dimethyl-6-(3...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O3/c1-13(2)32-21(31)17-11-29(12-22(3,4)18-9-16(10-27)28-19(17)18)20(30)14-6-5-7-15(8-14)23(24,25)26/h5-9,11,13,28H,12H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 8.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at gal4-tagged human FXR-ligand binding domain expressed in human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 5289-92 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185722
PNG
(CHEMBL3824207)
Show SMILES CC(C)n1nc(cc1[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O
Show InChI InChI=1/C30H28Cl3N3O5/c1-15(2)36-25(11-24(34-36)29(37)38)17-12-30(39,13-17)20-9-8-18(10-23(20)33)40-14-19-27(35-41-28(19)16-6-7-16)26-21(31)4-3-5-22(26)32/h3-5,8-11,15-17,39H,6-7,12-14H2,1-2H3,(H,37,38)/t17-,30+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 9n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185702
PNG
(CHEMBL3824163)
Show SMILES OC(=O)c1cncc(c1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1/C28H21Cl3N2O4/c29-22-2-1-3-23(30)25(22)26-21(27(37-33-26)14-4-5-14)13-36-17-6-7-18(24(31)9-17)20-10-19(20)15-8-16(28(34)35)12-32-11-15/h1-3,6-9,11-12,14,19-20H,4-5,10,13H2,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 10n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323527
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)6-5-7-21(24)31)15-42-23-13-12-22(27(35-23)29(32,33)34)38(3)14-17-8-10-18(11-9-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323526
PNG
(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)8-5-9-20(23)30)14-39-22-11-10-21(26(34-22)28(31,32)33)36(3)13-16-6-4-7-17(12-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50301758
PNG
(CHEMBL578757 | isopropyl 6-(3-chlorobenzoyl)-2-cya...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c1-13(2)29-21(28)17-11-26(20(27)14-6-5-7-15(23)8-14)12-22(3,4)18-9-16(10-24)25-19(17)18/h5-9,11,13,25H,12H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at gal4-tagged human FXR-ligand binding domain expressed in human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 5289-92 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50090943
PNG
(3-(2-{4-[3-(2-Bromo-6-chloro-phenyl)-5-isopropyl-i...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Br
Show InChI InChI=1S/C28H22BrCl2NO4/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+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 12n/an/an/an/a



Glaxo Wellcome Research& Development

Curated by ChEMBL


Assay Description
Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay


J Med Chem 43: 2971-4 (2000)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM28538
PNG
(Azepino[4,5-b]indole, 6i | FXR_5 | ethyl 3-[(3,4-d...)
Show SMILES CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H22F2N2O3/c1-4-31-23(30)16-12-28(22(29)14-9-10-17(25)18(26)11-14)13-24(2,3)20-15-7-5-6-8-19(15)27-21(16)20/h5-12,27H,4,13H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 12n/an/a7.022



Exelixis Inc.



Assay Description
The assays were performed using CV-1 African Green Monkey Kidney cells transfected with the vectors harboring human FXR, RXR, and luciferase reporter...


J Med Chem 52: 904-7 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185699
PNG
(CHEMBL3824337)
Show SMILES Cn1nc(C(O)=O)c2ccc(cc12)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1/C31H24Cl3N3O4/c1-37-26-11-16(7-9-19(26)29(35-37)31(38)39)20-13-21(20)18-10-8-17(12-25(18)34)40-14-22-28(36-41-30(22)15-5-6-15)27-23(32)3-2-4-24(27)33/h2-4,7-12,15,20-21H,5-6,13-14H2,1H3,(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 13n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185702
PNG
(CHEMBL3824163)
Show SMILES OC(=O)c1cncc(c1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1/C28H21Cl3N2O4/c29-22-2-1-3-23(30)25(22)26-21(27(37-33-26)14-4-5-14)13-36-17-6-7-18(24(31)9-17)20-10-19(20)15-8-16(28(34)35)12-32-11-15/h1-3,6-9,11-12,14,19-20H,4-5,10,13H2,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 14n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185699
PNG
(CHEMBL3824337)
Show SMILES Cn1nc(C(O)=O)c2ccc(cc12)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1/C31H24Cl3N3O4/c1-37-26-11-16(7-9-19(26)29(35-37)31(38)39)20-13-21(20)18-10-8-17(12-25(18)34)40-14-22-28(36-41-30(22)15-5-6-15)27-23(32)3-2-4-24(27)33/h2-4,7-12,15,20-21H,5-6,13-14H2,1H3,(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 14n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50336660
PNG
(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)Oc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C32H28Cl2N2O5/c1-17(2)31-23(30(36-41-31)29-24(33)6-5-7-25(29)34)16-39-21-11-8-19(9-12-21)20-10-13-26-22(14-20)28(40-18(3)4)15-27(35-26)32(37)38/h5-15,17-18H,16H2,1-4H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 14n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR LBD iexpressed in monkey CV-1 cells assessed as transactivation of luciferase reporter gene expression


Bioorg Med Chem Lett 21: 1206-13 (2011)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323534
PNG
(2-(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)is...)
Show SMILES CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C30H27Cl2F3N4O6S/c1-39(15-17-5-7-19(8-6-17)29(40)36-13-14-46(41,42)43)23-11-12-24(37-28(23)30(33,34)35)44-16-20-26(38-45-27(20)18-9-10-18)25-21(31)3-2-4-22(25)32/h2-8,11-12,18H,9-10,13-16H2,1H3,(H,36,40)(H,41,42,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50336659
PNG
(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CCOc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C31H26Cl2N2O5/c1-4-38-27-15-26(31(36)37)34-25-13-10-19(14-21(25)27)18-8-11-20(12-9-18)39-16-22-29(35-40-30(22)17(2)3)28-23(32)6-5-7-24(28)33/h5-15,17H,4,16H2,1-3H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 14n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR LBD iexpressed in monkey CV-1 cells assessed as transactivation of luciferase reporter gene expression


Bioorg Med Chem Lett 21: 1206-13 (2011)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185725
PNG
(CHEMBL3822859)
Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1/C30H24Cl3NO4/c31-24-5-2-6-25(32)27(24)28-23(29(38-34-28)16-7-8-16)15-37-21-9-10-22(26(33)14-21)20-12-19(13-20)17-3-1-4-18(11-17)30(35)36/h1-6,9-11,14,16,19-20H,7-8,12-13,15H2,(H,35,36)/t19-,20-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 15n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as...


Bioorg Med Chem Lett 26: 3746-53 (2016)

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+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/an/an/a 15n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at FXR


Bioorg Med Chem Lett 22: 6848-53 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
MMDB
PDB
PubMed
n/an/an/an/a 15n/an/an/an/a



Glaxo Wellcome Research& Development

Curated by ChEMBL


Assay Description
Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay


J Med Chem 43: 2971-4 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM28542
PNG
(WAY-362450 | XL335 | propan-2-yl 3-[(3,4-difluorop...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human FXR-LBD expressed in HEL293 cells by Gal4-luciferase assay


J Med Chem 53: 1774-87 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)

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+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at FXR (unknown origin) by coactivator recruitment assay


Bioorg Med Chem 22: 2447-60 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50301760
PNG
(CHEMBL578756 | isopropyl 2-cyano-4,4-dimethyl-6-(t...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccs1
Show InChI InChI=1S/C20H21N3O3S/c1-12(2)26-19(25)14-10-23(18(24)16-6-5-7-27-16)11-20(3,4)15-8-13(9-21)22-17(14)15/h5-8,10,12,22H,11H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at gal4-tagged human FXR-ligand binding domain expressed in human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 5289-92 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM28542
PNG
(WAY-362450 | XL335 | propan-2-yl 3-[(3,4-difluorop...)
Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at gal4-tagged human FXR-ligand binding domain expressed in human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 5289-92 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323525
PNG
(3-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(CCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H28Cl2F3N3O4/c1-17(2)28-20(27(37-42-28)26-21(31)5-4-6-22(26)32)16-41-24-13-12-23(29(36-24)30(33,34)35)38(3)15-19-9-7-18(8-10-19)11-14-25(39)40/h4-10,12-13,17H,11,14-16H2,1-3H3,(H,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM30326
PNG
(MFA-1)
Show SMILES C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C27H32O4/c1-26-13-11-17(25(30)31)15-18(26)5-8-20-21-9-10-23(27(21,2)14-12-22(20)26)24(29)16-3-6-19(28)7-4-16/h3-7,15,20-23,28H,8-14H2,1-2H3,(H,30,31)/t20?,21?,22?,23-,26+,27+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 16.9n/an/a7.04



Merck Research Laboratories



Assay Description
To each well of a 96-well assay plate, assay buffer was added containing purified GST-FXR, Eu-labeled anti-GST antibody (Perkin-Elmer), streptavidin-...


Proc Natl Acad Sci U S A 105: 5337-42 (2008)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50336658
PNG
(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES COc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C30H24Cl2N2O5/c1-16(2)29-21(28(34-39-29)27-22(31)5-4-6-23(27)32)15-38-19-10-7-17(8-11-19)18-9-12-24-20(13-18)26(37-3)14-25(33-24)30(35)36/h4-14,16H,15H2,1-3H3,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 17n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR LBD iexpressed in monkey CV-1 cells assessed as transactivation of luciferase reporter gene expression


Bioorg Med Chem Lett 21: 1206-13 (2011)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50258852
PNG
(3-(2-chloro-4-((3-((2,6-dimethylphenoxy)methyl)-5-...)
Show SMILES CC(C)c1onc(COc2c(C)cccc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C31H30ClNO5/c1-19(2)29-26(28(33-38-29)18-37-30-20(3)7-5-8-21(30)4)17-36-25-14-13-23(27(32)16-25)12-11-22-9-6-10-24(15-22)31(34)35/h5-16,19H,17-18H2,1-4H3,(H,34,35)/b12-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 17n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323525
PNG
(3-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(CCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H28Cl2F3N3O4/c1-17(2)28-20(27(37-42-28)26-21(31)5-4-6-22(26)32)16-41-24-13-12-23(29(36-24)30(33,34)35)38(3)15-19-9-7-18(8-10-19)11-14-25(39)40/h4-10,12-13,17H,11,14-16H2,1-3H3,(H,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 17n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185704
PNG
(CHEMBL3824162)
Show SMILES OC(=O)c1cccc(c1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1/C29H22Cl3NO4/c30-23-5-2-6-24(31)26(23)27-22(28(37-33-27)15-7-8-15)14-36-18-9-10-19(25(32)12-18)21-13-20(21)16-3-1-4-17(11-16)29(34)35/h1-6,9-12,15,20-21H,7-8,13-14H2,(H,34,35)/t20-,21-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 18n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50185714
PNG
(CHEMBL3822477)
Show SMILES Cn1nc(C(O)=O)c2ccc(cc12)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1/C32H26Cl3N3O5/c1-38-26-11-17(7-9-20(26)29(36-38)31(39)40)18-13-32(41,14-18)22-10-8-19(12-25(22)35)42-15-21-28(37-43-30(21)16-5-6-16)27-23(33)3-2-4-24(27)34/h2-4,7-12,16,18,41H,5-6,13-15H2,1H3,(H,39,40)/t18-,32+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 19n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...


Bioorg Med Chem Lett 26: 3746-53 (2016)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50167214
PNG
((E)-3-{3-[(4-Benzo[1,3]dioxol-5-yl-benzyl)-isobuty...)
Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C(C)C
Show InChI InChI=1S/C28H27NO5/c1-19(2)28(31)29(24-6-4-5-20(15-24)9-14-27(30)32-3)17-21-7-10-22(11-8-21)23-12-13-25-26(16-23)34-18-33-25/h4-16,19H,17-18H2,1-3H3/b14-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Universidade de São Paulo

Curated by ChEMBL


Assay Description
Effective concentration against farnesoid X receptor (FXR)


Bioorg Med Chem Lett 15: 3119-25 (2005)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50323528
PNG
(2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H26Cl2F3N3O5/c1-16(2)27-19(26(36-42-27)25-20(30)5-4-6-21(25)31)14-41-23-12-11-22(28(35-23)29(32,33)34)37(3)13-17-7-9-18(10-8-17)40-15-24(38)39/h4-12,16H,13-15H2,1-3H3,(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...


Bioorg Med Chem Lett 20: 4911-7 (2010)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 947 total )  |  Next  |  Last  >>
Jump to: