Compile Data Set for Download or QSAR
Found 56 Enz. Inhib. hit(s) with all data for entry = 50047722
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185697(CHEMBL3823077)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C30H25Cl3N2O5S/c1-41(37,38)35-30(36)18-9-5-16(6-10-18)21-14-22(21)20-12-11-19(13-26(20)33)39-15-23-28(34-40-29(23)17-7-8-17)27-24(31)3-2-4-25(27)32/h2-6,9-13,17,21-22H,7-8,14-15H2,1H3,(H,35,36)/t21-,22-/m0/s1
Affinity DataEC50:  48nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185701(CHEMBL3822798)
Show SMILES CC(C)n1nc(cc1C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O
Show InChI InChI=1S/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)
Affinity DataEC50:  7nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185699(CHEMBL3824337)
Show SMILES Cn1nc(C(O)=O)c2ccc(cc12)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/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)
Affinity DataEC50:  13nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185699(CHEMBL3824337)
Show SMILES Cn1nc(C(O)=O)c2ccc(cc12)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/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)
Affinity DataEC50:  14nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185710(CHEMBL3823312)
Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc(C2CC2c2ccc(nc2)-c2nnn[nH]2)c(Cl)c1
Show InChI InChI=1S/C28H21Cl3N6O2/c29-21-2-1-3-22(30)25(21)26-20(27(39-35-26)14-4-5-14)13-38-16-7-8-17(23(31)10-16)19-11-18(19)15-6-9-24(32-12-15)28-33-36-37-34-28/h1-3,6-10,12,14,18-19H,4-5,11,13H2,(H,33,34,36,37)
Affinity DataEC50:  111nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185725(CHEMBL3822859)
Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/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-
Affinity DataEC50:  15nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185697(CHEMBL3823077)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C30H25Cl3N2O5S/c1-41(37,38)35-30(36)18-9-5-16(6-10-18)21-14-22(21)20-12-11-19(13-26(20)33)39-15-23-28(34-40-29(23)17-7-8-17)27-24(31)3-2-4-25(27)32/h2-6,9-13,17,21-22H,7-8,14-15H2,1H3,(H,35,36)/t21-,22-/m0/s1
Affinity DataEC50:  44nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185721(CHEMBL3822901)
Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C30H24Cl3NO5/c31-23-5-2-6-24(32)26(23)27-21(28(39-34-27)16-7-8-16)15-38-20-9-10-22(25(33)12-20)30(37)13-19(14-30)17-3-1-4-18(11-17)29(35)36/h1-6,9-12,16,19,37H,7-8,13-15H2,(H,35,36)/t19-,30+
Affinity DataEC50:  25nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM21724(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+
Affinity DataEC50:  20nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM21724(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+
Affinity DataEC50:  35nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185706(CHEMBL3822803)
Show SMILES OC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)
Affinity DataEC50:  131nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185707(CHEMBL3822773)
Show SMILES OC(=O)c1ccc(cc1)[C@H]1C[C@@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m1/s1
Affinity DataEC50:  1.09E+3nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185708(CHEMBL3822464)
Show SMILES OC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m0/s1
Affinity DataEC50:  80nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185709(CHEMBL3822597)
Show SMILES OC(=O)c1cccc(c1)C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/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)
Affinity DataEC50:  32nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185705(CHEMBL3824077)
Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/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-/m1/s1
Affinity DataEC50:  90nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185704(CHEMBL3824162)
Show SMILES OC(=O)c1cccc(c1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/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-/m0/s1
Affinity DataEC50:  29nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185703(CHEMBL3823070)
Show SMILES OC(=O)c1ccc(cn1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C28H21Cl3N2O4/c29-21-2-1-3-22(30)25(21)26-20(27(37-33-26)14-4-5-14)13-36-16-7-8-17(23(31)10-16)19-11-18(19)15-6-9-24(28(34)35)32-12-15/h1-3,6-10,12,14,18-19H,4-5,11,13H2,(H,34,35)
Affinity DataEC50:  57nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185702(CHEMBL3824163)
Show SMILES OC(=O)c1cncc(c1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/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)
Affinity DataEC50:  14nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185701(CHEMBL3822798)
Show SMILES CC(C)n1nc(cc1C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O
Show InChI InChI=1S/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)
Affinity DataEC50:  6nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185700(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=1S/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+/m0/s1
Affinity DataEC50:  4nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185724(CHEMBL3823491)
Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/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+
Affinity DataEC50:  92nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185698(CHEMBL3823213)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C30H25Cl3N2O5S/c1-41(37,38)35-30(36)18-9-5-16(6-10-18)21-14-22(21)20-12-11-19(13-26(20)33)39-15-23-28(34-40-29(23)17-7-8-17)27-24(31)3-2-4-25(27)32/h2-6,9-13,17,21-22H,7-8,14-15H2,1H3,(H,35,36)
Affinity DataEC50:  90nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185718(CHEMBL3823637)
Show SMILES CO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C31H26Cl3NO5/c1-38-31(14-20(15-31)18-4-2-5-19(12-18)30(36)37)23-11-10-21(13-26(23)34)39-16-22-28(35-40-29(22)17-8-9-17)27-24(32)6-3-7-25(27)33/h2-7,10-13,17,20H,8-9,14-16H2,1H3,(H,36,37)/t20-,31+
Affinity DataEC50:  102nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185710(CHEMBL3823312)
Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc(C2CC2c2ccc(nc2)-c2nnn[nH]2)c(Cl)c1
Show InChI InChI=1S/C28H21Cl3N6O2/c29-21-2-1-3-22(30)25(21)26-20(27(39-35-26)14-4-5-14)13-38-16-7-8-17(23(31)10-16)19-11-18(19)15-6-9-24(32-12-15)28-33-36-37-34-28/h1-3,6-10,12,14,18-19H,4-5,11,13H2,(H,33,34,36,37)
Affinity DataEC50:  131nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185711(CHEMBL3822935)
Show SMILES OC(=O)CNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C31H25Cl3N2O5/c32-24-2-1-3-25(33)28(24)29-23(30(41-36-29)17-6-7-17)15-40-19-10-11-20(26(34)12-19)22-13-21(22)16-4-8-18(9-5-16)31(39)35-14-27(37)38/h1-5,8-12,17,21-22H,6-7,13-15H2,(H,35,39)(H,37,38)
Affinity DataEC50:  209nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185712(CHEMBL3822953)
Show SMILES OS(=O)(=O)CCNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C31H27Cl3N2O6S/c32-25-2-1-3-26(33)28(25)29-24(30(42-36-29)18-6-7-18)16-41-20-10-11-21(27(34)14-20)23-15-22(23)17-4-8-19(9-5-17)31(37)35-12-13-43(38,39)40/h1-5,8-11,14,18,22-23H,6-7,12-13,15-16H2,(H,35,37)(H,38,39,40)
Affinity DataEC50:  1.37E+3nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185711(CHEMBL3822935)
Show SMILES OC(=O)CNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C31H25Cl3N2O5/c32-24-2-1-3-25(33)28(24)29-23(30(41-36-29)17-6-7-17)15-40-19-10-11-20(26(34)12-19)22-13-21(22)16-4-8-18(9-5-16)31(39)35-14-27(37)38/h1-5,8-12,17,21-22H,6-7,13-15H2,(H,35,39)(H,37,38)
Affinity DataEC50:  150nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185720(CHEMBL3823938)
Show SMILES OC(=O)c1ccc(cc1)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C30H24Cl3NO5/c31-23-2-1-3-24(32)26(23)27-21(28(39-34-27)17-6-7-17)15-38-20-10-11-22(25(33)12-20)30(37)13-19(14-30)16-4-8-18(9-5-16)29(35)36/h1-5,8-12,17,19,37H,6-7,13-15H2,(H,35,36)/t19-,30+
Affinity DataEC50:  63nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185725(CHEMBL3822859)
Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/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-
Affinity DataEC50:  24nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185712(CHEMBL3822953)
Show SMILES OS(=O)(=O)CCNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
Show InChI InChI=1S/C31H27Cl3N2O6S/c32-25-2-1-3-26(33)28(25)29-24(30(42-36-29)18-6-7-18)16-41-20-10-11-21(27(34)14-20)23-15-22(23)17-4-8-19(9-5-17)31(37)35-12-13-43(38,39)40/h1-5,8-11,14,18,22-23H,6-7,12-13,15-16H2,(H,35,37)(H,38,39,40)
Affinity DataEC50:  76nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185721(CHEMBL3822901)
Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C30H24Cl3NO5/c31-23-5-2-6-24(32)26(23)27-21(28(39-34-27)16-7-8-16)15-38-20-9-10-22(25(33)12-20)30(37)13-19(14-30)17-3-1-4-18(11-17)29(35)36/h1-6,9-12,16,19,37H,7-8,13-15H2,(H,35,36)/t19-,30+
Affinity DataEC50:  29nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185724(CHEMBL3823491)
Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/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+
Affinity DataEC50:  77nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185718(CHEMBL3823637)
Show SMILES CO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C31H26Cl3NO5/c1-38-31(14-20(15-31)18-4-2-5-19(12-18)30(36)37)23-11-10-21(13-26(23)34)39-16-22-28(35-40-29(22)17-8-9-17)27-24(32)6-3-7-25(27)33/h2-7,10-13,17,20H,8-9,14-16H2,1H3,(H,36,37)/t20-,31+
Affinity DataEC50:  79nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185720(CHEMBL3823938)
Show SMILES OC(=O)c1ccc(cc1)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C30H24Cl3NO5/c31-23-2-1-3-24(32)26(23)27-21(28(39-34-27)17-6-7-17)15-38-20-10-11-22(25(33)12-20)30(37)13-19(14-30)16-4-8-18(9-5-16)29(35)36/h1-5,8-12,17,19,37H,6-7,13-15H2,(H,35,36)/t19-,30+
Affinity DataEC50:  24nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185723(CHEMBL3823467)
Show SMILES OCCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C32H28Cl3NO6/c33-25-5-2-6-26(34)28(25)29-23(30(42-36-29)18-7-8-18)17-40-22-9-10-24(27(35)14-22)32(41-12-11-37)15-21(16-32)19-3-1-4-20(13-19)31(38)39/h1-6,9-10,13-14,18,21,37H,7-8,11-12,15-17H2,(H,38,39)/t21-,32+
Affinity DataEC50:  373nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185717(CHEMBL3823688)
Show SMILES CCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C32H28Cl3NO5/c1-2-40-32(15-21(16-32)19-5-3-6-20(13-19)31(37)38)24-12-11-22(14-27(24)35)39-17-23-29(36-41-30(23)18-9-10-18)28-25(33)7-4-8-26(28)34/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3,(H,37,38)/t21-,32+
Affinity DataEC50:  277nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185722(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=1S/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+
Affinity DataEC50:  9nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185706(CHEMBL3822803)
Show SMILES OC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)
Affinity DataEC50:  76nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185723(CHEMBL3823467)
Show SMILES OCCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C32H28Cl3NO6/c33-25-5-2-6-26(34)28(25)29-23(30(42-36-29)18-7-8-18)17-40-22-9-10-24(27(35)14-22)32(41-12-11-37)15-21(16-32)19-3-1-4-20(13-19)31(38)39/h1-6,9-10,13-14,18,21,37H,7-8,11-12,15-17H2,(H,38,39)/t21-,32+
Affinity DataEC50:  377nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185717(CHEMBL3823688)
Show SMILES CCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C32H28Cl3NO5/c1-2-40-32(15-21(16-32)19-5-3-6-20(13-19)31(37)38)24-12-11-22(14-27(24)35)39-17-23-29(36-41-30(23)18-9-10-18)28-25(33)7-4-8-26(28)34/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3,(H,37,38)/t21-,32+
Affinity DataEC50:  220nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185708(CHEMBL3822464)
Show SMILES OC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m0/s1
Affinity DataEC50:  47nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185707(CHEMBL3822773)
Show SMILES OC(=O)c1ccc(cc1)[C@H]1C[C@@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m1/s1
Affinity DataEC50:  186nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185722(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=1S/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+
Affinity DataEC50:  110nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185709(CHEMBL3822597)
Show SMILES OC(=O)c1cccc(c1)C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/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)
Affinity DataEC50:  34nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185716(CHEMBL3823564)
Show SMILES OC(=O)c1cccc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C29H23Cl3N2O5/c30-22-5-2-6-23(31)25(22)26-20(27(39-33-26)16-7-8-16)13-38-19-9-10-21(24(32)12-19)29(37)14-34(15-29)18-4-1-3-17(11-18)28(35)36/h1-6,9-12,16,37H,7-8,13-15H2,(H,35,36)
Affinity DataEC50:  86nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185714(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=1S/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+
Affinity DataEC50:  50nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185715(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)
Affinity DataEC50:  552nMAssay 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...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185716(CHEMBL3823564)
Show SMILES OC(=O)c1cccc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/C29H23Cl3N2O5/c30-22-5-2-6-23(31)25(22)26-20(27(39-33-26)16-7-8-16)13-38-19-9-10-21(24(32)12-19)29(37)14-34(15-29)18-4-1-3-17(11-18)28(35)36/h1-6,9-12,16,37H,7-8,13-15H2,(H,35,36)
Affinity DataEC50:  54nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185714(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=1S/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+
Affinity DataEC50:  19nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Phenex Pharmaceuticals AG

Curated by ChEMBL
LigandPNGBDBM50185704(CHEMBL3824162)
Show SMILES OC(=O)c1cccc(c1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Show InChI InChI=1S/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-/m0/s1
Affinity DataEC50:  18nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
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