Found 26 hits of Enzyme Inhibition Constant Data 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)) | BDBM50151412
((R)-2-[(S)-1-((3R,7R,10S,13R)-7-Hydroxy-3-(R)-hydr...)Show SMILES C[C@H]([C@@H]1C[C@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C25H40O4/c1-13(16-12-17(16)23(28)29)18-4-5-19-22-20(7-9-25(18,19)3)24(2)8-6-15(26)10-14(24)11-21(22)27/h13-22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15-,16+,17-,18?,19?,20?,21-,22?,24+,25-/m1/s1 | 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 | 2.43E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50117091
((R)-4-((3R,6R,7R,10S,13R)-3,7-Dihydroxy-6,10,13-tr...)Show SMILES C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C25H42O4/c1-14(5-8-21(27)28)17-6-7-18-22-19(10-12-24(17,18)3)25(4)11-9-16(26)13-20(25)15(2)23(22)29/h14-20,22-23,26,29H,5-13H2,1-4H3,(H,27,28)/t14-,15-,16-,17?,18?,19?,20?,22?,23-,24-,25-/m1/s1 | 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 | 750 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151417
(4-((4R,5S,9R,14R)-7-Hydroxy-3-(R)-hydroxy-10,13-di...)Show SMILES C[C@H](CCCS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C24H42O5S/c1-15(5-4-12-30(27,28)29)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(25)13-16(23)14-21(22)26/h15-22,25-26H,4-14H2,1-3H3,(H,27,28,29)/t15-,16?,17-,18?,19?,20?,21-,22?,23+,24-/m1/s1 | 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 | 4.55E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151420
((R)-4-((3R,6R,7R,10S,13R)-3,7-Dihydroxy-10,13-dime...)Show SMILES C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](CC#C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C27H42O4/c1-5-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)30)8-9-20(26)24(21)25(18)31/h1,16-22,24-25,28,31H,6-15H2,2-4H3,(H,29,30)/t16-,17-,18-,19?,20?,21?,22?,24?,25-,26-,27-/m1/s1 | 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 | 540 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151424
((1R,3R)-4-((3R,7R,10S,13R)-3,7-Dihydroxy-10,13-dim...)Show SMILES C[C@H](C[C@@H](O)C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C24H40O5/c1-13(10-20(27)22(28)29)16-4-5-17-21-18(7-9-24(16,17)3)23(2)8-6-15(25)11-14(23)12-19(21)26/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15-,16?,17?,18?,19-,20-,21?,23+,24-/m1/s1 | 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 | 1.02E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151414
((R)-4-((3R,6R,7S,10R,13R)-6-Fluoro-3,7-dihydroxy-1...)Show SMILES C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](F)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C24H39FO4/c1-13(4-7-19(27)28)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(26)12-18(24)21(25)22(20)29/h13-18,20-22,26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14-,15?,16?,17?,18?,20?,21-,22+,23-,24-/m1/s1 | 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 | 1.51E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151415
((3S,5R)-4-((3R,7R,10S,13R)-3,7-Dihydroxy-10,13-dim...)Show SMILES C[C@H]([C@H](O)CC(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15+,16?,17?,18?,19+,20+,22?,23-,24+/m0/s1 | 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 | 3.32E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151416
(CHEMBL424989 | [(R)-3-((3R,7R,10S,13R)-3,7-Dihydro...)Show SMILES CCOC(=O)NCC[C@@H](C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C26H45NO4/c1-5-31-24(30)27-13-10-16(2)19-6-7-20-23-21(9-12-26(19,20)4)25(3)11-8-18(28)14-17(25)15-22(23)29/h16-23,28-29H,5-15H2,1-4H3,(H,27,30)/t16-,17?,18-,19?,20?,21?,22-,23?,25+,26-/m1/s1 | 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 | 2.72E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 8.66E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50375577
(CHEMBL270311)Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C24H40O3/c1-15(7-10-21(26)27)17-8-9-18-22-19(11-13-24(17,18)3)23(2)12-5-4-6-16(23)14-20(22)25/h15-20,22,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151411
((R)-2-[(R)-1-((3R,7R,10S,13R)-7-Hydroxy-3-(S)-hydr...)Show SMILES C[C@H]([C@H]1C[C@@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C25H40O4/c1-13(16-12-17(16)23(28)29)18-4-5-19-22-20(7-9-25(18,19)3)24(2)8-6-15(26)10-14(24)11-21(22)27/h13-22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15-,16-,17+,18?,19?,20?,21-,22?,24+,25-/m1/s1 | 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 | 4.27E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151413
((R)-4-((3R,6R,7R,10S,13R)-3,7-Dihydroxy-6,10,13-tr...)Show SMILES C[C@H](CC(C)C(O)=O)C1CCC2C3[C@H](O)[C@H](C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C26H44O4/c1-14(12-15(2)24(29)30)18-6-7-19-22-20(9-11-25(18,19)4)26(5)10-8-17(27)13-21(26)16(3)23(22)28/h14-23,27-28H,6-13H2,1-5H3,(H,29,30)/t14-,15?,16-,17-,18?,19?,20?,21?,22?,23-,25-,26-/m1/s1 | 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 | 1.56E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151418
((R)-4-((3R,6R,7S,10R,13R)-3,6,7-Trihydroxy-10,13-d...)Show SMILES C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](O)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15?,16?,17?,18?,20?,21-,22+,23-,24-/m1/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151427
((R)-4-((3R,6R,7R,10S,13R)-6-Allyl-3,7-dihydroxy-10...)Show SMILES C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](CC=C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C27H44O4/c1-5-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)30)8-9-20(26)24(21)25(18)31/h5,16-22,24-25,28,31H,1,6-15H2,2-4H3,(H,29,30)/t16-,17-,18-,19?,20?,21?,22?,24?,25-,26-,27-/m1/s1 | 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 | 480 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151431
((R)-2-[(S)-1-((3R,7R,10S,13R)-7-Hydroxy-3-(S)-hydr...)Show SMILES C[C@H]([C@@H]1C[C@@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C25H40O4/c1-13(16-12-17(16)23(28)29)18-4-5-19-22-20(7-9-25(18,19)3)24(2)8-6-15(26)10-14(24)11-21(22)27/h13-22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15-,16+,17+,18?,19?,20?,21-,22?,24+,25-/m1/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151419
((3R,7R,10S,13R)-17-((R)-3-Amino-1-methyl-propyl)-1...)Show SMILES C[C@H](CCN)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C23H41NO2/c1-14(8-11-24)17-4-5-18-21-19(7-10-23(17,18)3)22(2)9-6-16(25)12-15(22)13-20(21)26/h14-21,25-26H,4-13,24H2,1-3H3/t14-,15?,16-,17?,18?,19?,20-,21?,22+,23-/m1/s1 | 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 | 9.68E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151422
((R)-4-((3R,6S,7S,10R,13R)-6-Fluoro-3,7-dihydroxy-1...)Show SMILES C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@@H](F)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C24H39FO4/c1-13(4-7-19(27)28)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(26)12-18(24)21(25)22(20)29/h13-18,20-22,26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14-,15?,16?,17?,18?,20?,21+,22+,23-,24-/m1/s1 | 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 | 1.21E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151410
(CHEMBL189237 | Sulfuric acid mono-[(R)-4-((3R,7R,1...)Show SMILES C[C@H](CCCOS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C24H42O6S/c1-15(5-4-12-30-31(27,28)29)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(25)13-16(23)14-21(22)26/h15-22,25-26H,4-14H2,1-3H3,(H,27,28,29)/t15-,16?,17-,18?,19?,20?,21-,22?,23+,24-/m1/s1 | 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 | 5.99E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151409
((R)-2-[(R)-1-((3R,7R,10S,13R)-7-Hydroxy-3-(R)-hydr...)Show SMILES C[C@H]([C@H]1C[C@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C25H40O4/c1-13(16-12-17(16)23(28)29)18-4-5-19-22-20(7-9-25(18,19)3)24(2)8-6-15(26)10-14(24)11-21(22)27/h13-22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15-,16-,17-,18?,19?,20?,21-,22?,24+,25-/m1/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151421
(3-((E)-2-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-i...)Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(1.9,3.75,;3.37,4.25,;3.67,5.76,;4.51,3.22,;6.01,3.55,;6.8,2.22,;5.77,1.07,;4.37,1.7,;3.04,.93,;1.71,1.68,;.38,.9,;.38,-.63,;-.95,-1.41,;-2.28,-.63,;-3.61,-1.41,;-4.95,-.64,;-6.28,-1.42,;-6.28,-2.97,;-7.63,-3.74,;-8.94,-2.97,;-8.94,-1.42,;-7.63,-.66,;-10.27,-.66,;-11.61,-1.42,;-10.27,.89,;-2.29,.9,;-.97,1.68,;6.1,-.4,;7.56,-.9,;8.69,.16,;7.88,-2.39,;6.75,-3.43,;5.26,-2.95,;4.96,-1.46,;3.49,-.97,)| Show InChI InChI=1S/C28H23Cl2NO4/c1-17(2)27-22(26(31-35-27)25-23(29)7-4-8-24(25)30)16-34-21-13-11-18(12-14-21)9-10-19-5-3-6-20(15-19)28(32)33/h3-15,17H,16H2,1-2H3,(H,32,33)/b10-9+ | 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 | 30 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151425
((R)-4-[(3R,6R,7R,10S,13R)-3,7-Dihydroxy-6-(2-hydro...)Show SMILES C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](CCO)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C26H44O5/c1-15(4-7-22(29)30)18-5-6-19-23-20(9-12-25(18,19)2)26(3)11-8-16(28)14-21(26)17(10-13-27)24(23)31/h15-21,23-24,27-28,31H,4-14H2,1-3H3,(H,29,30)/t15-,16-,17-,18?,19?,20?,21?,23?,24-,25-,26-/m1/s1 | 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 | 6.12E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21675
((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151423
(2-((4R,5S,9R,14S)-7-Hydroxy-3-(S)-hydroxy-10,13-di...)Show SMILES C[C@@H](C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O Show InChI InChI=1S/C22H36O4/c1-12(20(25)26)15-4-5-16-19-17(7-9-22(15,16)3)21(2)8-6-14(23)10-13(21)11-18(19)24/h12-19,23-24H,4-11H2,1-3H3,(H,25,26)/t12-,13?,14+,15?,16?,17?,18+,19?,21-,22+/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151428
(2-[(R)-3-((3R,7R,10S,13R)-3,7-Dihydroxy-10,13-dime...)Show SMILES C[C@H](CCn1oc(=O)[nH]c1=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C25H40N2O5/c1-14(8-11-27-22(30)26-23(31)32-27)17-4-5-18-21-19(7-10-25(17,18)3)24(2)9-6-16(28)12-15(24)13-20(21)29/h14-21,28-29H,4-13H2,1-3H3,(H,26,30,31)/t14-,15?,16-,17?,18?,19?,20-,21?,24+,25-/m1/s1 | 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 | 1.22E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151430
((R)-4-((3R,6R,7S,10R,13R)-3,7-Dihydroxy-6-methoxy-...)Show SMILES CO[C@H]1[C@@H](O)C2C3CCC([C@H](C)CCC(O)=O)[C@@]3(C)CCC2[C@@]2(C)CC[C@@H](O)CC12 Show InChI InChI=1S/C25H42O5/c1-14(5-8-20(27)28)16-6-7-17-21-18(10-12-24(16,17)2)25(3)11-9-15(26)13-19(25)23(30-4)22(21)29/h14-19,21-23,26,29H,5-13H2,1-4H3,(H,27,28)/t14-,15-,16?,17?,18?,19?,21?,22+,23-,24-,25-/m1/s1 | 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 | 1.47E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50151429
((1S,3R)-4-((3R,7R,10S,13R)-3,7-Dihydroxy-10,13-dim...)Show SMILES C[C@H](C[C@H](O)C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C24H40O5/c1-13(10-20(27)22(28)29)16-4-5-17-21-18(7-9-24(16,17)3)23(2)8-6-15(25)11-14(23)12-19(21)26/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15-,16?,17?,18?,19-,20+,21?,23+,24-/m1/s1 | 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 | 1.32E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | |