Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50032031 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323531
(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(6.62,-28.01,;6,-29.41,;4.47,-29.58,;6.91,-30.66,;8.46,-30.65,;8.95,-32.12,;7.7,-33.04,;6.44,-32.13,;5.12,-32.9,;3.78,-32.13,;2.44,-32.91,;1.1,-32.14,;-.23,-32.92,;-.22,-34.45,;-1.55,-35.22,;-1.54,-36.76,;-2.88,-34.46,;-4.21,-35.23,;-5.55,-34.47,;-6.88,-35.24,;-6.88,-36.79,;-5.55,-37.56,;-4.21,-36.78,;-5.55,-39.1,;-4.21,-39.87,;-6.88,-39.87,;-8.21,-39.1,;-9.54,-39.87,;-9,-37.75,;-7.46,-37.75,;1.12,-35.22,;2.45,-34.45,;1.12,-36.76,;-.21,-37.53,;2.45,-37.53,;1.1,-38.3,;7.7,-34.57,;9.04,-35.33,;10.36,-34.55,;9.05,-36.86,;7.71,-37.65,;6.38,-36.88,;6.37,-35.34,;5.03,-34.58,)| Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)9-6-10-21(24)31)15-42-23-12-11-22(27(35-23)29(32,33)34)38(3)14-17-7-5-8-18(13-17)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
| Article
PubMed
| n/a | n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323532
(2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...)Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.58,-28.23,;28.96,-29.64,;27.43,-29.81,;29.87,-30.88,;31.42,-30.88,;31.91,-32.35,;30.66,-33.26,;29.4,-32.36,;28.08,-33.12,;26.74,-32.36,;25.4,-33.13,;24.06,-32.37,;22.73,-33.14,;22.74,-34.67,;21.41,-35.45,;21.42,-36.99,;20.08,-34.68,;18.75,-35.46,;17.41,-34.7,;16.08,-35.47,;16.08,-37.01,;17.41,-37.78,;18.75,-37.01,;17.41,-39.32,;18.75,-40.09,;16.08,-40.09,;14.75,-39.32,;13.41,-40.09,;12.08,-39.32,;10.74,-40.09,;9.96,-41.42,;11.5,-41.42,;9.41,-39.32,;24.08,-35.45,;25.41,-34.67,;24.08,-36.99,;22.75,-37.76,;25.41,-37.75,;24.06,-38.52,;30.66,-34.79,;32,-35.55,;33.32,-34.77,;32.01,-37.09,;30.67,-37.87,;29.34,-37.11,;29.33,-35.57,;27.99,-34.8,)| Show InChI InChI=1S/C30H30Cl2F3N4O7P/c1-17(2)27-20(26(38-46-27)25-21(31)8-5-9-22(25)32)16-44-24-11-10-23(28(37-24)30(33,34)35)39(3)15-18-6-4-7-19(14-18)29(40)36-12-13-45-47(41,42)43/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,36,40)(H2,41,42,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323533
(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 |(-1.96,-48.67,;-1.97,-47.13,;-3.3,-46.37,;-4.63,-47.14,;-4.63,-48.69,;-5.97,-49.46,;-7.3,-48.69,;-7.3,-47.15,;-5.97,-46.38,;-8.63,-49.46,;-9.97,-48.69,;-8.64,-51,;-.64,-46.36,;-.65,-44.83,;.68,-44.05,;2.02,-44.81,;3.36,-44.04,;4.7,-44.81,;6.02,-44.04,;6.49,-42.57,;8.04,-42.56,;8.53,-44.03,;7.28,-44.94,;7.28,-46.48,;8.62,-47.24,;9.94,-46.46,;8.63,-48.77,;7.29,-49.55,;5.96,-48.79,;5.95,-47.25,;4.61,-46.48,;5.58,-41.33,;5.41,-39.8,;4.17,-40.71,;2.03,-46.35,;.7,-47.13,;.7,-48.67,;-.63,-49.44,;2.03,-49.44,;.68,-50.21,)| 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
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323534
(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 |(25.42,-47.4,;25.41,-45.86,;24.07,-45.1,;22.74,-45.87,;22.75,-47.42,;21.41,-48.2,;20.08,-47.43,;20.08,-45.88,;21.41,-45.11,;18.74,-48.19,;18.74,-49.73,;17.41,-47.42,;16.08,-48.19,;14.74,-47.42,;13.41,-48.19,;12.08,-47.42,;12.62,-49.51,;14.16,-49.51,;26.74,-45.09,;26.73,-43.56,;28.05,-42.78,;29.4,-43.55,;30.74,-42.77,;32.07,-43.54,;33.4,-42.77,;33.87,-41.3,;35.42,-41.29,;35.9,-42.76,;34.66,-43.68,;34.66,-45.21,;35.99,-45.97,;37.32,-45.19,;36.01,-47.5,;34.67,-48.29,;33.33,-47.52,;33.33,-45.98,;31.99,-45.22,;32.95,-40.06,;32.79,-38.53,;31.55,-39.44,;29.41,-45.09,;28.08,-45.86,;28.08,-47.4,;26.74,-48.17,;29.41,-48.17,;28.06,-48.94,)| 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
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323535
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)Show SMILES CCN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-3.51,-2.57,;-2.18,-1.8,;-2.18,-.26,;-3.52,.51,;-4.85,-.27,;-4.85,-1.82,;-6.18,-2.59,;-7.52,-1.82,;-7.52,-.27,;-6.19,.5,;-8.85,-2.59,;-10.19,-1.81,;-8.85,-4.13,;-.85,.52,;-.87,2.05,;.46,2.83,;1.8,2.06,;3.14,2.84,;4.48,2.07,;5.8,2.84,;6.27,4.31,;7.83,4.31,;8.31,2.85,;7.06,1.93,;7.07,.4,;8.4,-.36,;9.73,.42,;8.41,-1.89,;7.08,-2.68,;5.74,-1.91,;5.73,-.37,;4.4,.39,;5.36,5.55,;5.19,7.08,;3.95,6.17,;1.81,.52,;.48,-.25,;.48,-1.79,;-.85,-2.56,;1.82,-2.56,;.47,-3.33,)| Show InChI InChI=1S/C29H24Cl2F3N3O4/c1-2-37(14-16-6-8-18(9-7-16)28(38)39)22-12-13-23(35-27(22)29(32,33)34)40-15-19-25(36-41-26(19)17-10-11-17)24-20(30)4-3-5-21(24)31/h3-9,12-13,17H,2,10-11,14-15H2,1H3,(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
| Article
PubMed
| n/a | n/a | n/a | n/a | 194 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323545
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((6-methyl-4-...)Show SMILES CC(C)c1onc(c1COc1cc(cc(C)n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(15.46,-28.38,;14.84,-29.79,;13.31,-29.95,;15.75,-31.03,;17.3,-31.03,;17.78,-32.49,;16.53,-33.41,;15.28,-32.5,;13.95,-33.28,;12.61,-32.51,;11.28,-33.29,;9.94,-32.53,;8.62,-33.3,;8.61,-34.84,;9.95,-35.61,;9.95,-37.15,;11.28,-34.84,;7.28,-32.53,;7.28,-30.99,;5.95,-33.3,;5.94,-31.76,;16.54,-34.94,;17.87,-35.7,;19.2,-34.92,;17.88,-37.24,;16.55,-38.02,;15.21,-37.25,;15.21,-35.72,;13.87,-34.95,)| Show InChI InChI=1S/C20H17Cl2F3N2O2/c1-10(2)19-13(18(27-29-19)17-14(21)5-4-6-15(17)22)9-28-16-8-12(20(23,24)25)7-11(3)26-16/h4-8,10H,9H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 225 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323538
(4-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...)Show SMILES CC(Nc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(19.02,-13.21,;19.02,-11.67,;17.68,-10.91,;16.35,-11.68,;16.36,-13.23,;15.02,-14.01,;13.68,-13.23,;13.69,-11.69,;15.02,-10.92,;12.35,-14,;11.02,-13.23,;12.35,-15.54,;20.35,-10.9,;20.34,-9.37,;21.66,-8.59,;23.01,-9.35,;24.34,-8.58,;25.68,-9.35,;27.01,-8.58,;27.48,-7.11,;29.03,-7.1,;29.51,-8.57,;28.26,-9.48,;28.27,-11.02,;29.6,-11.78,;30.93,-11,;29.61,-13.31,;28.28,-14.1,;26.94,-13.33,;26.93,-11.79,;25.6,-11.03,;26.56,-5.87,;26.39,-4.34,;25.15,-5.25,;23.01,-10.9,;21.68,-11.67,;21.68,-13.21,;20.35,-13.98,;23.02,-13.98,;21.67,-14.75,)| Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-14(34-17-9-7-16(8-10-17)27(37)38)18-11-12-22(35-26(18)28(31,32)33)39-13-19-24(36-40-25(19)15-5-6-15)23-20(29)3-2-4-21(23)30/h2-4,7-12,14-15,34H,5-6,13H2,1H3,(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
| Article
PubMed
| n/a | n/a | n/a | n/a | 101 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323539
(4-((1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)iso...)Show SMILES CC(N(C)c1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.98,-26.3,;-2.99,-24.76,;-4.32,-24,;-4.33,-22.46,;-5.65,-24.77,;-5.65,-26.32,;-6.98,-27.1,;-8.32,-26.32,;-8.32,-24.78,;-6.99,-24.01,;-9.65,-27.09,;-10.99,-26.32,;-9.65,-28.63,;-1.65,-23.99,;-1.67,-22.46,;-.34,-21.68,;1,-22.44,;2.34,-21.67,;3.68,-22.44,;5,-21.67,;5.47,-20.2,;7.02,-20.19,;7.51,-21.66,;6.26,-22.57,;6.26,-24.11,;7.6,-24.87,;8.93,-24.09,;7.61,-26.4,;6.27,-27.19,;4.94,-26.42,;4.93,-24.88,;3.6,-24.12,;4.56,-18.96,;4.39,-17.43,;3.15,-18.34,;1.01,-23.99,;-.32,-24.76,;-.32,-26.3,;-1.65,-27.07,;1.02,-27.07,;-.33,-27.84,)| Show InChI InChI=1S/C29H24Cl2F3N3O4/c1-15(37(2)18-10-8-17(9-11-18)28(38)39)19-12-13-23(35-27(19)29(32,33)34)40-14-20-25(36-41-26(20)16-6-7-16)24-21(30)4-3-5-22(24)31/h3-5,8-13,15-16H,6-7,14H2,1-2H3,(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
| Article
PubMed
| n/a | n/a | n/a | n/a | 179 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323520
(3-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol...)Show SMILES CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(4.21,-15.15,;3.59,-16.56,;2.06,-16.72,;4.5,-17.8,;6.05,-17.8,;6.54,-19.26,;5.29,-20.18,;4.03,-19.27,;2.7,-20.04,;1.37,-19.27,;.03,-20.05,;-1.31,-19.28,;-2.64,-20.06,;-2.63,-21.59,;-3.96,-22.37,;-3.95,-23.91,;-5.29,-21.6,;-5.3,-20.06,;-6.63,-22.38,;-7.96,-21.61,;-9.29,-22.38,;-9.29,-23.93,;-7.96,-24.7,;-6.62,-23.93,;-7.96,-26.24,;-6.62,-27.01,;-9.29,-27.01,;-1.29,-22.36,;.04,-21.59,;-1.29,-23.9,;-1.29,-25.44,;.04,-24.67,;-2.62,-24.68,;5.29,-21.71,;6.63,-22.47,;7.95,-21.69,;6.64,-24.01,;5.3,-24.79,;3.96,-24.02,;3.96,-22.49,;2.62,-21.72,)| Show InChI InChI=1S/C28H22Cl2F3N3O5/c1-14(2)24-17(23(35-41-24)22-18(29)8-5-9-19(22)30)13-40-21-11-10-20(25(34-21)28(31,32)33)36(3)26(37)15-6-4-7-16(12-15)27(38)39/h4-12,14H,13H2,1-3H3,(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 433 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323521
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methyl-5-...)Show SMILES CC(C)c1[o+][n-]c(c1COc1cc(C)c(cn1)[N+]([O-])=O)-c1c(Cl)cccc1Cl |(22.17,-16.64,;21.14,-17.78,;19.63,-17.46,;21.61,-19.25,;23.08,-19.73,;23.08,-21.27,;21.61,-21.74,;20.7,-20.5,;19.16,-20.5,;18.39,-21.83,;16.85,-21.83,;16.08,-23.16,;14.53,-23.16,;13.76,-24.49,;13.77,-21.82,;14.54,-20.49,;16.07,-20.49,;12.23,-21.82,;11.46,-20.48,;11.45,-23.15,;21.58,-23.28,;22.89,-24.07,;24.24,-23.32,;22.86,-25.61,;21.51,-26.35,;20.19,-25.55,;20.23,-24.01,;18.91,-23.21,)| Show InChI InChI=1S/C19H17Cl2N3O4/c1-10(2)19-12(9-27-16-7-11(3)15(8-22-16)24(25)26)18(23-28-19)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323522
(3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methylqui...)Show SMILES CC(C)c1onc(c1COc1cc(C)c2ccccc2n1)-c1c(Cl)cccc1Cl |(-5.54,-39.13,;-4.92,-37.72,;-3.39,-37.56,;-5.83,-36.48,;-7.37,-36.48,;-7.84,-35.02,;-6.6,-34.12,;-5.35,-35.01,;-4.01,-34.26,;-2.69,-35.05,;-1.34,-34.31,;-1.33,-32.77,;.01,-32.02,;.03,-30.48,;1.34,-32.81,;2.68,-32.07,;4,-32.85,;3.98,-34.39,;2.63,-35.14,;1.32,-34.35,;-.03,-35.1,;-6.6,-32.58,;-7.93,-31.81,;-9.26,-32.58,;-7.93,-30.26,;-6.6,-29.49,;-5.26,-30.26,;-5.26,-31.81,;-3.92,-32.57,)| Show InChI InChI=1S/C23H20Cl2N2O2/c1-13(2)23-16(22(27-29-23)21-17(24)8-6-9-18(21)25)12-28-20-11-14(3)15-7-4-5-10-19(15)26-20/h4-11,13H,12H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 147 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50323537
(3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...)Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(4.6,-5.15,;3.98,-6.55,;2.45,-6.72,;4.89,-7.8,;6.44,-7.79,;6.92,-9.26,;5.68,-10.18,;4.42,-9.27,;3.09,-10.04,;1.76,-9.27,;.42,-10.05,;-.93,-9.28,;-2.25,-10.06,;-2.24,-11.59,;-3.57,-12.36,;-3.56,-13.9,;-4.91,-11.6,;-6.24,-12.37,;-7.57,-11.61,;-8.9,-12.38,;-8.9,-13.93,;-7.57,-14.7,;-6.23,-13.92,;-7.57,-16.24,;-8.9,-17.01,;-6.23,-17.01,;-.9,-12.36,;-.9,-13.9,;.43,-11.59,;5.68,-11.71,;7.01,-12.47,;8.34,-11.69,;7.03,-14,;5.69,-14.79,;4.35,-14.02,;4.35,-12.48,;3.01,-11.72,)| Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)8-5-9-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-6-4-7-17(10-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52 |
More data for this
Ligand-Target Pair | |
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