Found 102 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)) | BDBM50167158
((E)-3-[4-({Cyclohexanecarbonyl-[3-((E)-3-methoxy-p...)Show SMILES COC\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H39NO4/c1-31(2,3)36-29(33)20-19-24-15-17-26(18-16-24)23-32(30(34)27-12-6-5-7-13-27)28-14-8-10-25(22-28)11-9-21-35-4/h8-11,14-20,22,27H,5-7,12-13,21,23H2,1-4H3/b11-9+,20-19+ | 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 | 243 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167164
((E)-3-{3-[1-(4'-Dimethylamino-biphenyl-4-ylmethyl)...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)NC(C)C Show InChI InChI=1S/C29H33N3O3/c1-21(2)30-29(34)32(27-8-6-7-22(19-27)11-18-28(33)35-5)20-23-9-12-24(13-10-23)25-14-16-26(17-15-25)31(3)4/h6-19,21H,20H2,1-5H3,(H,30,34)/b18-11+ | 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 | 162 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167165
((E)-3-{3-[1-(3'-Chloro-biphenyl-4-ylmethyl)-3-isop...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC(C)C Show InChI InChI=1S/C27H27ClN2O3/c1-19(2)29-27(32)30(25-9-4-6-20(16-25)12-15-26(31)33-3)18-21-10-13-22(14-11-21)23-7-5-8-24(28)17-23/h4-17,19H,18H2,1-3H3,(H,29,32)/b15-12+ | 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 | 1.40E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167179
((E)-3-{3-[Cyclohexanecarbonyl-(3'-methoxy-biphenyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H33NO4/c1-35-29-13-7-11-27(21-29)25-17-14-24(15-18-25)22-32(31(34)26-9-4-3-5-10-26)28-12-6-8-23(20-28)16-19-30(33)36-2/h6-8,11-21,26H,3-5,9-10,22H2,1-2H3/b19-16+ | 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 |
Universidade de São Paulo
Curated by ChEMBL
| Assay Description
Effective concentration against farnesoid X receptor (FXR) |
Bioorg Med Chem Lett 15: 3119-25 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167185
((E)-3-[4-({Cyclohexanecarbonyl-[3-((E)-2-methoxyca...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1O)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H37NO6/c1-31(2,3)38-29(35)18-15-23-13-16-25(27(33)20-23)21-32(30(36)24-10-6-5-7-11-24)26-12-8-9-22(19-26)14-17-28(34)37-4/h8-9,12-20,24,33H,5-7,10-11,21H2,1-4H3/b17-14+,18-15+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167197
((E)-3-{3-[(3'-Chloro-biphenyl-4-ylmethyl)-cyclohex...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C30H30ClNO3/c1-35-29(33)18-15-22-7-5-12-28(19-22)32(30(34)25-8-3-2-4-9-25)21-23-13-16-24(17-14-23)26-10-6-11-27(31)20-26/h5-7,10-20,25H,2-4,8-9,21H2,1H3/b18-15+ | 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 | 94 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167209
((E)-3-{3-[(3'-Acetyl-biphenyl-4-ylmethyl)-cyclohex...)Show SMILES COC(=O)C=Cc1cccc(c1)N(Cc1ccc(cc1)-c1cccc(c1)C(C)=O)C(=O)C1CCCCC1 |w:4.3| Show InChI InChI=1S/C32H33NO4/c1-23(34)28-11-7-12-29(21-28)26-17-14-25(15-18-26)22-33(32(36)27-9-4-3-5-10-27)30-13-6-8-24(20-30)16-19-31(35)37-2/h6-8,11-21,27H,3-5,9-10,22H2,1-2H3 | 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 | 227 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167210
((E)-3-[3-(Isobutyryl-{4-[(E)-2-(2,4,6-trimethyl-ph...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(C)cc(C)cc2C)cc1)C(=O)C(C)C Show InChI InChI=1S/C32H35NO3/c1-22(2)32(35)33(29-9-7-8-27(20-29)15-17-31(34)36-6)21-28-12-10-26(11-13-28)14-16-30-24(4)18-23(3)19-25(30)5/h7-20,22H,21H2,1-6H3/b16-14+,17-15+ | 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 | 149 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167229
((E)-3-{3-[(5'-Chloro-2'-methoxy-biphenyl-4-ylmethy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cc(Cl)ccc1OC)C(=O)C(C)C Show InChI InChI=1S/C28H28ClNO4/c1-19(2)28(32)30(24-7-5-6-20(16-24)10-15-27(31)34-4)18-21-8-11-22(12-9-21)25-17-23(29)13-14-26(25)33-3/h5-17,19H,18H2,1-4H3/b15-10+ | 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 | 226 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167220
((E)-3-[3-({4-[(E)-2-(3-Chloro-phenyl)-vinyl]-benzy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(Cl)c2)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H32ClNO3/c1-37-31(35)20-19-26-8-6-12-30(22-26)34(32(36)28-9-3-2-4-10-28)23-27-17-14-24(15-18-27)13-16-25-7-5-11-29(33)21-25/h5-8,11-22,28H,2-4,9-10,23H2,1H3/b16-13+,20-19+ | 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 | 165 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167221
((E)-3-{3-[Isobutyryl-(3'-methyl-biphenyl-4-ylmethy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(C)c1)C(=O)C(C)C Show InChI InChI=1S/C28H29NO3/c1-20(2)28(31)29(26-10-6-8-22(18-26)13-16-27(30)32-4)19-23-11-14-24(15-12-23)25-9-5-7-21(3)17-25/h5-18,20H,19H2,1-4H3/b16-13+ | 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 | 163 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167222
((E)-3-[3-(3-Isopropyl-1-{4-[(E)-2-(3-trifluorometh...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(c2)C(F)(F)F)cc1)C(=O)NC(C)C Show InChI InChI=1S/C30H29F3N2O3/c1-21(2)34-29(37)35(27-9-5-7-24(19-27)16-17-28(36)38-3)20-25-14-11-22(12-15-25)10-13-23-6-4-8-26(18-23)30(31,32)33/h4-19,21H,20H2,1-3H3,(H,34,37)/b13-10+,17-16+ | 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 | 932 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167227
((E)-3-{3-[(4'-Dimethylamino-biphenyl-4-ylmethyl)-i...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C(C)C Show InChI InChI=1S/C29H32N2O3/c1-21(2)29(33)31(27-8-6-7-22(19-27)11-18-28(32)34-5)20-23-9-12-24(13-10-23)25-14-16-26(17-15-25)30(3)4/h6-19,21H,20H2,1-5H3/b18-11+ | 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 | 57 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167225
((E)-3-(3-{Cyclohexanecarbonyl-[4-((E)-3-ethoxy-pro...)Show SMILES CCOC\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1 Show InChI InChI=1S/C29H35NO4/c1-3-34-20-8-10-23-14-16-25(17-15-23)22-30(29(32)26-11-5-4-6-12-26)27-13-7-9-24(21-27)18-19-28(31)33-2/h7-10,13-19,21,26H,3-6,11-12,20,22H2,1-2H3/b10-8+,19-18+ | 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 | 1.98E+5 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167245
((E)-3-{3-[Cyclohexanecarbonyl-(8-methoxy-2,2-dimet...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc2C=CC(C)(C)Oc2c1OC)C(=O)C1CCCCC1 |c:19| Show InChI InChI=1S/C30H35NO5/c1-30(2)18-17-22-14-15-24(27(35-4)28(22)36-30)20-31(29(33)23-10-6-5-7-11-23)25-12-8-9-21(19-25)13-16-26(32)34-3/h8-9,12-19,23H,5-7,10-11,20H2,1-4H3/b16-13+ | 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 | 358 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167254
((E)-3-[4-({Cyclohexanecarbonyl-[3-((E)-2-methoxyca...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(O)=O)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C27H29NO5/c1-33-26(31)17-15-21-6-5-9-24(18-21)28(27(32)23-7-3-2-4-8-23)19-22-12-10-20(11-13-22)14-16-25(29)30/h5-6,9-18,23H,2-4,7-8,19H2,1H3,(H,29,30)/b16-14+,17-15+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167167
((E)-3-(3-{Cyclohexanecarbonyl-[4-((E)-2-ethoxycarb...)Show SMILES CCOC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1 Show InChI InChI=1S/C29H33NO5/c1-3-35-28(32)19-16-22-12-14-24(15-13-22)21-30(29(33)25-9-5-4-6-10-25)26-11-7-8-23(20-26)17-18-27(31)34-2/h7-8,11-20,25H,3-6,9-10,21H2,1-2H3/b18-17+,19-16+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167170
((E)-3-{3-[3-Isopropyl-1-(3'-methoxy-biphenyl-4-ylm...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)NC(C)C Show InChI InChI=1S/C28H30N2O4/c1-20(2)29-28(32)30(25-9-5-7-21(17-25)13-16-27(31)34-4)19-22-11-14-23(15-12-22)24-8-6-10-26(18-24)33-3/h5-18,20H,19H2,1-4H3,(H,29,32)/b16-13+ | 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 | 1.37E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167177
((E)-3-{3-[Isobutyryl-(3'-methoxy-biphenyl-4-ylmeth...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)C(C)C Show InChI InChI=1S/C28H29NO4/c1-20(2)28(31)29(25-9-5-7-21(17-25)13-16-27(30)33-4)19-22-11-14-23(15-12-22)24-8-6-10-26(18-24)32-3/h5-18,20H,19H2,1-4H3/b16-13+ | 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 | 72 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167186
((E)-3-{3-[Cyclohexanecarbonyl-(3',4'-difluoro-biph...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(F)c(F)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C30H29F2NO3/c1-36-29(34)17-12-21-6-5-9-26(18-21)33(30(35)24-7-3-2-4-8-24)20-22-10-13-23(14-11-22)25-15-16-27(31)28(32)19-25/h5-6,9-19,24H,2-4,7-8,20H2,1H3/b17-12+ | 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 | 72 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167199
((E)-3-[3-({4-[(E)-2-(2-Fluoro-phenyl)-vinyl]-benzy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2F)cc1)C(=O)C(C)C Show InChI InChI=1S/C29H28FNO3/c1-21(2)29(33)31(26-9-6-7-23(19-26)16-18-28(32)34-3)20-24-13-11-22(12-14-24)15-17-25-8-4-5-10-27(25)30/h4-19,21H,20H2,1-3H3/b17-15+,18-16+ | 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 | 70 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167203
((E)-3-{3-[Isobutyryl-(4'-methoxy-biphenyl-4-ylmeth...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)C(C)C Show InChI InChI=1S/C28H29NO4/c1-20(2)28(31)29(25-7-5-6-21(18-25)10-17-27(30)33-4)19-22-8-11-23(12-9-22)24-13-15-26(32-3)16-14-24/h5-18,20H,19H2,1-4H3/b17-10+ | 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 | 97 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167215
((E)-3-{3-[(3'-Ethoxy-biphenyl-4-ylmethyl)-isobutyr...)Show SMILES CCOc1cccc(c1)-c1ccc(CN(C(=O)C(C)C)c2cccc(\C=C\C(=O)OC)c2)cc1 Show InChI InChI=1S/C29H31NO4/c1-5-34-27-11-7-9-25(19-27)24-15-12-23(13-16-24)20-30(29(32)21(2)3)26-10-6-8-22(18-26)14-17-28(31)33-4/h6-19,21H,5,20H2,1-4H3/b17-14+ | 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 | 173 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167223
((E)-3-[3-Benzyloxy-4-({cyclohexanecarbonyl-[3-((E)...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OCc1ccccc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C38H43NO6/c1-38(2,3)45-36(41)23-20-29-18-21-32(34(25-29)44-27-30-12-7-5-8-13-30)26-39(37(42)31-15-9-6-10-16-31)33-17-11-14-28(24-33)19-22-35(40)43-4/h5,7-8,11-14,17-25,31H,6,9-10,15-16,26-27H2,1-4H3/b22-19+,23-20+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167224
((E)-3-[3-(Cyclohexanecarbonyl-methyl-amino)-phenyl...)Show InChI InChI=1S/C18H23NO3/c1-19(18(21)15-8-4-3-5-9-15)16-10-6-7-14(13-16)11-12-17(20)22-2/h6-7,10-13,15H,3-5,8-9H2,1-2H3/b12-11+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167230
((E)-3-[3-(Cyclohexanecarbonyl-{4-[(E)-2-(4-methyl-...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2scnc2C)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C30H32N2O3S/c1-22-28(36-21-31-22)17-15-23-11-13-25(14-12-23)20-32(30(34)26-8-4-3-5-9-26)27-10-6-7-24(19-27)16-18-29(33)35-2/h6-7,10-19,21,26H,3-5,8-9,20H2,1-2H3/b17-15+,18-16+ | 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 | 227 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167242
((E)-3-{3-[(4-Bromo-benzyl)-cyclohexanecarbonyl-ami...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(Br)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H26BrNO3/c1-29-23(27)15-12-18-6-5-9-22(16-18)26(17-19-10-13-21(25)14-11-19)24(28)20-7-3-2-4-8-20/h5-6,9-16,20H,2-4,7-8,17H2,1H3/b15-12+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167255
((E)-3-(3-{[4-((E)-2-tert-Butylcarbamoyl-vinyl)-ben...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)NC(C)(C)C)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H38N2O4/c1-31(2,3)32-28(34)19-17-23-13-15-25(16-14-23)22-33(30(36)26-10-6-5-7-11-26)27-12-8-9-24(21-27)18-20-29(35)37-4/h8-9,12-21,26H,5-7,10-11,22H2,1-4H3,(H,32,34)/b19-17+,20-18+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167248
((E)-3-{3-[Cyclohexanecarbonyl-(3'-methyl-biphenyl-...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(C)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H33NO3/c1-23-8-6-12-28(20-23)26-17-14-25(15-18-26)22-32(31(34)27-10-4-3-5-11-27)29-13-7-9-24(21-29)16-19-30(33)35-2/h6-9,12-21,27H,3-5,10-11,22H2,1-2H3/b19-16+ | 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 | 109 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167157
((E)-3-{3-[Cyclohexanecarbonyl-(3,5-dimethoxy-benzy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1cc(OC)cc(OC)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C26H31NO5/c1-30-23-15-20(16-24(17-23)31-2)18-27(26(29)21-9-5-4-6-10-21)22-11-7-8-19(14-22)12-13-25(28)32-3/h7-8,11-17,21H,4-6,9-10,18H2,1-3H3/b13-12+ | 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 | 606 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167160
((E)-3-[4-({Cyclohexanecarbonyl-[3-((E)-3-ethoxy-pr...)Show SMILES CCOC\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H41NO4/c1-5-36-22-10-12-26-11-9-15-29(23-26)33(31(35)28-13-7-6-8-14-28)24-27-18-16-25(17-19-27)20-21-30(34)37-32(2,3)4/h9-12,15-21,23,28H,5-8,13-14,22,24H2,1-4H3/b12-10+,21-20+ | 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 | 220 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167166
((E)-3-(3-{Isobutyryl-[4-((E)-styryl)-benzyl]-amino...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2)cc1)C(=O)C(C)C Show InChI InChI=1S/C29H29NO3/c1-22(2)29(32)30(27-11-7-10-25(20-27)18-19-28(31)33-3)21-26-16-14-24(15-17-26)13-12-23-8-5-4-6-9-23/h4-20,22H,21H2,1-3H3/b13-12+,19-18+ | 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 | 65 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167174
((E)-3-[3-(1-{4-[(E)-2-(2-Fluoro-phenyl)-vinyl]-ben...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2F)cc1)C(=O)NC(C)C Show InChI InChI=1S/C29H29FN2O3/c1-21(2)31-29(34)32(26-9-6-7-23(19-26)16-18-28(33)35-3)20-24-13-11-22(12-14-24)15-17-25-8-4-5-10-27(25)30/h4-19,21H,20H2,1-3H3,(H,31,34)/b17-15+,18-16+ | 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 | 431 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167194
((E)-3-(3-{[4-(5-Acetyl-thiophen-2-yl)-benzyl]-cycl...)Show SMILES COC(=O)C=Cc1cccc(c1)N(Cc1ccc(cc1)-c1ccc(s1)C(C)=O)C(=O)C1CCCCC1 |w:4.3| Show InChI InChI=1S/C30H31NO4S/c1-21(32)27-16-17-28(36-27)24-14-11-23(12-15-24)20-31(30(34)25-8-4-3-5-9-25)26-10-6-7-22(19-26)13-18-29(33)35-2/h6-7,10-19,25H,3-5,8-9,20H2,1-2H3 | 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 | 256 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167192
((E)-3-{3-[Isobutyryl-(4'-methyl-biphenyl-4-ylmethy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(C)cc1)C(=O)C(C)C Show InChI InChI=1S/C28H29NO3/c1-20(2)28(31)29(26-7-5-6-22(18-26)12-17-27(30)32-4)19-23-10-15-25(16-11-23)24-13-8-21(3)9-14-24/h5-18,20H,19H2,1-4H3/b17-12+ | 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 | 118 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167204
((E)-3-{3-[(2-Bromo-benzyl)-cyclohexanecarbonyl-ami...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccccc1Br)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H26BrNO3/c1-29-23(27)15-14-18-8-7-12-21(16-18)26(17-20-11-5-6-13-22(20)25)24(28)19-9-3-2-4-10-19/h5-8,11-16,19H,2-4,9-10,17H2,1H3/b15-14+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167212
((E)-3-{3-[3-Isopropyl-1-(4'-methyl-biphenyl-4-ylme...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(C)cc1)C(=O)NC(C)C Show InChI InChI=1S/C28H30N2O3/c1-20(2)29-28(32)30(26-7-5-6-22(18-26)12-17-27(31)33-4)19-23-10-15-25(16-11-23)24-13-8-21(3)9-14-24/h5-18,20H,19H2,1-4H3,(H,29,32)/b17-12+ | 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 | 449 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167213
((E)-3-[3-(Isobutyryl-{4-[(E)-2-(3-trifluoromethyl-...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(c2)C(F)(F)F)cc1)C(=O)C(C)C Show InChI InChI=1S/C30H28F3NO3/c1-21(2)29(36)34(27-9-5-7-24(19-27)16-17-28(35)37-3)20-25-14-11-22(12-15-25)10-13-23-6-4-8-26(18-23)30(31,32)33/h4-19,21H,20H2,1-3H3/b13-10+,17-16+ | 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 | 267 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167216
((E)-3-[4-({[3-((E)-2-Carbamoyl-vinyl)-phenyl]-cycl...)Show SMILES CC(C)(C)OC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(N)=O)c2)cc1 Show InChI InChI=1S/C30H36N2O4/c1-30(2,3)36-28(34)19-17-22-12-14-24(15-13-22)21-32(29(35)25-9-5-4-6-10-25)26-11-7-8-23(20-26)16-18-27(31)33/h7-8,11-20,25H,4-6,9-10,21H2,1-3H3,(H2,31,33)/b18-16+,19-17+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167211
((E)-3-[3-(Cyclohexanecarbonyl-{4-[(E)-2-(3-fluoro-...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(F)c2)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H32FNO3/c1-37-31(35)20-19-26-8-6-12-30(22-26)34(32(36)28-9-3-2-4-10-28)23-27-17-14-24(15-18-27)13-16-25-7-5-11-29(33)21-25/h5-8,11-22,28H,2-4,9-10,23H2,1H3/b16-13+,20-19+ | 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 | 86 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167208
((E)-3-{3-[(3'-Chloro-4'-fluoro-biphenyl-4-ylmethyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(F)c(Cl)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C30H29ClFNO3/c1-36-29(34)17-12-21-6-5-9-26(18-21)33(30(35)24-7-3-2-4-8-24)20-22-10-13-23(14-11-22)25-15-16-28(32)27(31)19-25/h5-6,9-19,24H,2-4,7-8,20H2,1H3/b17-12+ | 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 | 66 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167214
((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
| Article
PubMed
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167232
((E)-3-{3-[(3-Bromo-benzyl)-cyclohexanecarbonyl-ami...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1cccc(Br)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H26BrNO3/c1-29-23(27)14-13-18-7-6-12-22(16-18)26(17-19-8-5-11-21(25)15-19)24(28)20-9-3-2-4-10-20/h5-8,11-16,20H,2-4,9-10,17H2,1H3/b14-13+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167235
((E)-3-{3-[Cyclohexanecarbonyl-(3'-ethoxy-biphenyl-...)Show SMILES CCOc1cccc(c1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1 Show InChI InChI=1S/C32H35NO4/c1-3-37-30-14-8-12-28(22-30)26-18-15-25(16-19-26)23-33(32(35)27-10-5-4-6-11-27)29-13-7-9-24(21-29)17-20-31(34)36-2/h7-9,12-22,27H,3-6,10-11,23H2,1-2H3/b20-17+ | 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 |
Universidade de São Paulo
Curated by ChEMBL
| Assay Description
Effective concentration against farnesoid X receptor (FXR) |
Bioorg Med Chem Lett 15: 3119-25 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167244
((E)-3-[3-(Isobutyryl-{4-[(E)-2-(4-methyl-thiazol-5...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2scnc2C)cc1)C(=O)C(C)C Show InChI InChI=1S/C27H28N2O3S/c1-19(2)27(31)29(24-7-5-6-22(16-24)13-15-26(30)32-4)17-23-10-8-21(9-11-23)12-14-25-20(3)28-18-33-25/h5-16,18-19H,17H2,1-4H3/b14-12+,15-13+ | 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 | 228 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167253
((E)-3-[3-(1-{4-[(E)-2-(4-Fluoro-phenyl)-vinyl]-ben...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(F)cc2)cc1)C(=O)NC(C)C Show InChI InChI=1S/C29H29FN2O3/c1-21(2)31-29(34)32(27-6-4-5-24(19-27)15-18-28(33)35-3)20-25-11-9-22(10-12-25)7-8-23-13-16-26(30)17-14-23/h4-19,21H,20H2,1-3H3,(H,31,34)/b8-7+,18-15+ | 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 | 348 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167252
((E)-3-(3-{Cyclohexanecarbonyl-[4-(5-methyl-thiophe...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(C)s1)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H31NO3S/c1-21-11-17-27(34-21)24-15-12-23(13-16-24)20-30(29(32)25-8-4-3-5-9-25)26-10-6-7-22(19-26)14-18-28(31)33-2/h6-7,10-19,25H,3-5,8-9,20H2,1-2H3/b18-14+ | 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 | 206 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167247
((E)-3-[4-({(Furan-2-carbonyl)-[3-((E)-2-methoxycar...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)c1ccco1 Show InChI InChI=1S/C29H29NO6/c1-29(2,3)36-27(32)17-14-21-10-12-23(13-11-21)20-30(28(33)25-9-6-18-35-25)24-8-5-7-22(19-24)15-16-26(31)34-4/h5-19H,20H2,1-4H3/b16-15+,17-14+ | 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 | 205 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167171
((E)-3-{3-[1-(2',6'-Dimethoxy-biphenyl-4-ylmethyl)-...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1c(OC)cccc1OC)C(=O)NC(C)C Show InChI InChI=1S/C29H32N2O5/c1-20(2)30-29(33)31(24-9-6-8-21(18-24)14-17-27(32)36-5)19-22-12-15-23(16-13-22)28-25(34-3)10-7-11-26(28)35-4/h6-18,20H,19H2,1-5H3,(H,30,33)/b17-14+ | 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 | 561 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167173
((E)-3-(3-{Isobutyryl-[4-((E)-2-pyridin-2-yl-vinyl)...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccn2)cc1)C(=O)C(C)C Show InChI InChI=1S/C28H28N2O3/c1-21(2)28(32)30(26-9-6-7-23(19-26)15-17-27(31)33-3)20-24-12-10-22(11-13-24)14-16-25-8-4-5-18-29-25/h4-19,21H,20H2,1-3H3/b16-14+,17-15+ | 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 | 310 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167183
((E)-3-{3-[(4-tert-Butyl-benzyl)-cyclohexanecarbony...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)C(C)(C)C)C(=O)C1CCCCC1 Show InChI InChI=1S/C28H35NO3/c1-28(2,3)24-16-13-22(14-17-24)20-29(27(31)23-10-6-5-7-11-23)25-12-8-9-21(19-25)15-18-26(30)32-4/h8-9,12-19,23H,5-7,10-11,20H2,1-4H3/b18-15+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167182
((E)-3-{3-[(4'-tert-Butyl-biphenyl-4-ylmethyl)-cycl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)C(C)(C)C)C(=O)C1CCCCC1 Show InChI InChI=1S/C34H39NO3/c1-34(2,3)30-20-18-28(19-21-30)27-16-13-26(14-17-27)24-35(33(37)29-10-6-5-7-11-29)31-12-8-9-25(23-31)15-22-32(36)38-4/h8-9,12-23,29H,5-7,10-11,24H2,1-4H3/b22-15+ | 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 | 132 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167189
(Benzoic acid 5-((E)-2-tert-butoxycarbonyl-vinyl)-2...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OC(=O)c1ccccc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C38H41NO7/c1-38(2,3)46-35(41)23-20-28-18-21-31(33(25-28)45-37(43)30-15-9-6-10-16-30)26-39(36(42)29-13-7-5-8-14-29)32-17-11-12-27(24-32)19-22-34(40)44-4/h6,9-12,15-25,29H,5,7-8,13-14,26H2,1-4H3/b22-19+,23-20+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167228
((E)-3-[3-(Cyclohexanecarbonyl-amino)-phenyl]-acryl...)Show InChI InChI=1S/C17H21NO3/c1-21-16(19)11-10-13-6-5-9-15(12-13)18-17(20)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,18,20)/b11-10+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167231
((E)-3-[3-({4-[(E)-2-(3,5-Bis-trifluoromethyl-pheny...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C34H31F6NO3/c1-44-31(42)17-16-24-6-5-9-30(20-24)41(32(43)27-7-3-2-4-8-27)22-25-13-10-23(11-14-25)12-15-26-18-28(33(35,36)37)21-29(19-26)34(38,39)40/h5-6,9-21,27H,2-4,7-8,22H2,1H3/b15-12+,17-16+ | 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+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167233
((E)-3-{3-[Cyclohexanecarbonyl-(2',6'-dimethoxy-bip...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1c(OC)cccc1OC)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H35NO5/c1-36-28-13-8-14-29(37-2)31(28)25-18-15-24(16-19-25)22-33(32(35)26-10-5-4-6-11-26)27-12-7-9-23(21-27)17-20-30(34)38-3/h7-9,12-21,26H,4-6,10-11,22H2,1-3H3/b20-17+ | 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 | 77 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167246
((E)-3-[4-({Cyclohexanecarbonyl-[3-((E)-2-methoxyca...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OC)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H39NO6/c1-32(2,3)39-30(35)19-16-24-14-17-26(28(21-24)37-4)22-33(31(36)25-11-7-6-8-12-25)27-13-9-10-23(20-27)15-18-29(34)38-5/h9-10,13-21,25H,6-8,11-12,22H2,1-5H3/b18-15+,19-16+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167251
((E)-3-[3-(Cyclohexanecarbonyl-{4-[(E)-2-(4-fluoro-...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(F)cc2)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H32FNO3/c1-37-31(35)21-18-26-6-5-9-30(22-26)34(32(36)28-7-3-2-4-8-28)23-27-14-12-24(13-15-27)10-11-25-16-19-29(33)20-17-25/h5-6,9-22,28H,2-4,7-8,23H2,1H3/b11-10+,21-18+ | 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 | 185 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167156
((E)-3-[3-(Cyclohexanecarbonyl-{4-[(E)-2-(4-methoxy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(OC)cc2)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C33H35NO4/c1-37-31-20-17-26(18-21-31)12-11-25-13-15-28(16-14-25)24-34(33(36)29-8-4-3-5-9-29)30-10-6-7-27(23-30)19-22-32(35)38-2/h6-7,10-23,29H,3-5,8-9,24H2,1-2H3/b12-11+,22-19+ | 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 | 208 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167159
((E)-3-[3-(Cyclohexanecarbonyl-{4-[(E)-2-(2,6-dichl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(Cl)cccc2Cl)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H31Cl2NO3/c1-38-31(36)20-18-24-7-5-10-27(21-24)35(32(37)26-8-3-2-4-9-26)22-25-15-13-23(14-16-25)17-19-28-29(33)11-6-12-30(28)34/h5-7,10-21,26H,2-4,8-9,22H2,1H3/b19-17+,20-18+ | 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 | 150 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167163
((E)-3-(3-{Cyclohexanecarbonyl-[4-((E)-2-pyridin-2-...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccn2)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H32N2O3/c1-36-30(34)20-18-25-8-7-12-29(22-25)33(31(35)27-9-3-2-4-10-27)23-26-15-13-24(14-16-26)17-19-28-11-5-6-21-32-28/h5-8,11-22,27H,2-4,9-10,23H2,1H3/b19-17+,20-18+ | 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 | 309 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167200
((E)-3-[4-({Cyclohexanecarbonyl-[3-((E)-2-methoxyca...)Show SMILES CCOC(=O)COc1cc(\C=C\C(=O)OC(C)(C)C)ccc1CN(C(=O)C1CCCCC1)c1cccc(\C=C\C(=O)OC)c1 Show InChI InChI=1S/C35H43NO8/c1-6-42-33(39)24-43-30-22-26(17-20-32(38)44-35(2,3)4)15-18-28(30)23-36(34(40)27-12-8-7-9-13-27)29-14-10-11-25(21-29)16-19-31(37)41-5/h10-11,14-22,27H,6-9,12-13,23-24H2,1-5H3/b19-16+,20-17+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167206
((E)-3-{3-[(5'-Chloro-2'-methoxy-biphenyl-4-ylmethy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cc(Cl)ccc1OC)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H32ClNO4/c1-36-29-17-16-26(32)20-28(29)24-14-11-23(12-15-24)21-33(31(35)25-8-4-3-5-9-25)27-10-6-7-22(19-27)13-18-30(34)37-2/h6-7,10-20,25H,3-5,8-9,21H2,1-2H3/b18-13+ | 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 | 233 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167218
((E)-3-{3-[Cyclohexanecarbonyl-(4'-methoxy-biphenyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H33NO4/c1-35-29-18-16-26(17-19-29)25-14-11-24(12-15-25)22-32(31(34)27-8-4-3-5-9-27)28-10-6-7-23(21-28)13-20-30(33)36-2/h6-7,10-21,27H,3-5,8-9,22H2,1-2H3/b20-13+ | 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 | 89 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167234
((E)-3-(4-{3-Benzyl-1-[3-((E)-2-methoxycarbonyl-vin...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C32H34N2O5/c1-32(2,3)39-30(36)20-17-24-13-15-27(16-14-24)23-34(31(37)33-22-26-9-6-5-7-10-26)28-12-8-11-25(21-28)18-19-29(35)38-4/h5-21H,22-23H2,1-4H3,(H,33,37)/b19-18+,20-17+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167250
((E)-3-[3-({4-[(E)-2-(3-Fluoro-phenyl)-vinyl]-benzy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(F)c2)cc1)C(=O)C(C)C Show InChI InChI=1S/C29H28FNO3/c1-21(2)29(33)31(27-9-5-7-24(19-27)16-17-28(32)34-3)20-25-14-11-22(12-15-25)10-13-23-6-4-8-26(30)18-23/h4-19,21H,20H2,1-3H3/b13-10+,17-16+ | 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 | 71 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167240
((E)-3-[3-(Cyclohexanecarbonyl-naphthalen-2-yl-amin...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(C(=O)C1CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H27NO3/c1-31-26(29)17-14-20-8-7-13-24(18-20)28(27(30)22-10-3-2-4-11-22)25-16-15-21-9-5-6-12-23(21)19-25/h5-9,12-19,22H,2-4,10-11H2,1H3/b17-14+ | 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 | 680 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167243
((E)-3-[3-(Cyclohexanecarbonyl-{4-[(E)-2-(2-fluoro-...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2F)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H32FNO3/c1-37-31(35)21-19-25-8-7-12-29(22-25)34(32(36)28-10-3-2-4-11-28)23-26-16-14-24(15-17-26)18-20-27-9-5-6-13-30(27)33/h5-9,12-22,28H,2-4,10-11,23H2,1H3/b20-18+,21-19+ | 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 | 64 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167155
((E)-3-(3-{Cyclohexanecarbonyl-[4-((E)-3-methoxy-pr...)Show SMILES COC\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1 Show InChI InChI=1S/C28H33NO4/c1-32-19-7-9-22-13-15-24(16-14-22)21-29(28(31)25-10-4-3-5-11-25)26-12-6-8-23(20-26)17-18-27(30)33-2/h6-9,12-18,20,25H,3-5,10-11,19,21H2,1-2H3/b9-7+,18-17+ | 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 | 233 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167168
((E)-3-(4-{3-Isopropyl-1-[3-((E)-2-methoxycarbonyl-...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)NC(C)C Show InChI InChI=1S/C28H34N2O5/c1-20(2)29-27(33)30(24-9-7-8-22(18-24)15-16-25(31)34-6)19-23-12-10-21(11-13-23)14-17-26(32)35-28(3,4)5/h7-18,20H,19H2,1-6H3,(H,29,33)/b16-15+,17-14+ | 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 | 212 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167172
((E)-3-{3-[(3'-Chloro-4'-fluoro-biphenyl-4-ylmethyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(F)c(Cl)c1)C(=O)C(C)C Show InChI InChI=1S/C27H25ClFNO3/c1-18(2)27(32)30(23-6-4-5-19(15-23)9-14-26(31)33-3)17-20-7-10-21(11-8-20)22-12-13-25(29)24(28)16-22/h4-16,18H,17H2,1-3H3/b14-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 129 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167180
((E)-3-{3-[Benzoyl-(1,1-dichloro-4-methoxy-2,2-dime...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc2C3C(C3(Cl)Cl)C(C)(C)Oc2c1OC)C(=O)c1ccccc1 Show InChI InChI=1S/C31H29Cl2NO5/c1-30(2)28-25(31(28,32)33)23-15-14-21(26(38-4)27(23)39-30)18-34(29(36)20-10-6-5-7-11-20)22-12-8-9-19(17-22)13-16-24(35)37-3/h5-17,25,28H,18H2,1-4H3/b16-13+ | 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 | 333 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167188
((E)-3-[3-({4-[(E)-2-(4-Fluoro-phenyl)-vinyl]-benzy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(F)cc2)cc1)C(=O)C(C)C Show InChI InChI=1S/C29H28FNO3/c1-21(2)29(33)31(27-6-4-5-24(19-27)15-18-28(32)34-3)20-25-11-9-22(10-12-25)7-8-23-13-16-26(30)17-14-23/h4-19,21H,20H2,1-3H3/b8-7+,18-15+ | 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 | 120 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167195
((E)-3-[3-({4-[(E)-2-(2,6-Dichloro-phenyl)-vinyl]-b...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(Cl)cccc2Cl)cc1)C(=O)C(C)C Show InChI InChI=1S/C29H27Cl2NO3/c1-20(2)29(34)32(24-7-4-6-22(18-24)15-17-28(33)35-3)19-23-12-10-21(11-13-23)14-16-25-26(30)8-5-9-27(25)31/h4-18,20H,19H2,1-3H3/b16-14+,17-15+ | 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 | 195 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167205
((E)-3-(3-{[4-((E)-2-tert-Butoxycarbonyl-vinyl)-ben...)Show SMILES CC(C)(C)OC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC(C)(C)C)c2)cc1 Show InChI InChI=1S/C34H43NO5/c1-33(2,3)39-30(36)21-19-25-15-17-27(18-16-25)24-35(32(38)28-12-8-7-9-13-28)29-14-10-11-26(23-29)20-22-31(37)40-34(4,5)6/h10-11,14-23,28H,7-9,12-13,24H2,1-6H3/b21-19+,22-20+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167207
((E)-3-{3-[(3'-Chloro-biphenyl-4-ylmethyl)-isobutyr...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)C(C)C Show InChI InChI=1S/C27H26ClNO3/c1-19(2)27(31)29(25-9-4-6-20(16-25)12-15-26(30)32-3)18-21-10-13-22(14-11-21)23-7-5-8-24(28)17-23/h4-17,19H,18H2,1-3H3/b15-12+ | 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 | 77 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167237
((E)-3-[4-({Cyclohexanecarbonyl-[3-((E)-2-methoxyca...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OCc2ccccc2)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C34H35NO5/c1-39-32(36)21-20-27-11-8-14-31(23-27)35(34(38)30-12-6-3-7-13-30)24-28-17-15-26(16-18-28)19-22-33(37)40-25-29-9-4-2-5-10-29/h2,4-5,8-11,14-23,30H,3,6-7,12-13,24-25H2,1H3/b21-20+,22-19+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167226
((E)-3-{3-[Cyclohexanecarbonyl-(3'-trifluoromethoxy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC(F)(F)F)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H30F3NO4/c1-38-29(36)18-15-22-7-5-11-27(19-22)35(30(37)25-8-3-2-4-9-25)21-23-13-16-24(17-14-23)26-10-6-12-28(20-26)39-31(32,33)34/h5-7,10-20,25H,2-4,8-9,21H2,1H3/b18-15+ | 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 | 420 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167239
((E)-3-[3-({4-[(E)-2-(2,6-Difluoro-phenyl)-vinyl]-b...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(F)cccc2F)cc1)C(=O)C(C)C Show InChI InChI=1S/C29H27F2NO3/c1-20(2)29(34)32(24-7-4-6-22(18-24)15-17-28(33)35-3)19-23-12-10-21(11-13-23)14-16-25-26(30)8-5-9-27(25)31/h4-18,20H,19H2,1-3H3/b16-14+,17-15+ | 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 | 108 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167241
((E)-3-[3-({4-[(E)-2-(3,5-Bis-trifluoromethyl-pheny...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(=O)C(C)C Show InChI InChI=1S/C31H27F6NO3/c1-20(2)29(40)38(27-6-4-5-22(17-27)13-14-28(39)41-3)19-23-10-7-21(8-11-23)9-12-24-15-25(30(32,33)34)18-26(16-24)31(35,36)37/h4-18,20H,19H2,1-3H3/b12-9+,14-13+ | 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 | 1.95E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167175
((E)-3-{3-[Cyclohexanecarbonyl-(3-methoxy-benzyl)-a...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1cccc(OC)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C25H29NO4/c1-29-23-13-7-9-20(17-23)18-26(25(28)21-10-4-3-5-11-21)22-12-6-8-19(16-22)14-15-24(27)30-2/h6-9,12-17,21H,3-5,10-11,18H2,1-2H3/b15-14+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167184
((E)-3-[3-(Benzyl-cyclohexanecarbonyl-amino)-phenyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccccc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H27NO3/c1-28-23(26)16-15-19-11-8-14-22(17-19)25(18-20-9-4-2-5-10-20)24(27)21-12-6-3-7-13-21/h2,4-5,8-11,14-17,21H,3,6-7,12-13,18H2,1H3/b16-15+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167190
((E)-3-{3-[Cyclohexanecarbonyl-(4'-methylsulfanyl-b...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(SC)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H33NO3S/c1-35-30(33)20-13-23-7-6-10-28(21-23)32(31(34)27-8-4-3-5-9-27)22-24-11-14-25(15-12-24)26-16-18-29(36-2)19-17-26/h6-7,10-21,27H,3-5,8-9,22H2,1-2H3/b20-13+ | 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 | 69 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167196
((E)-3-{3-[Isobutyryl-(4'-trifluoromethoxy-biphenyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)C(=O)C(C)C Show InChI InChI=1S/C28H26F3NO4/c1-19(2)27(34)32(24-6-4-5-20(17-24)9-16-26(33)35-3)18-21-7-10-22(11-8-21)23-12-14-25(15-13-23)36-28(29,30)31/h4-17,19H,18H2,1-3H3/b16-9+ | 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 | 219 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167202
((E)-3-[3-({4-[(E)-2-(3-Chloro-phenyl)-vinyl]-benzy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(Cl)c2)cc1)C(=O)C(C)C Show InChI InChI=1S/C29H28ClNO3/c1-21(2)29(33)31(27-9-5-7-24(19-27)16-17-28(32)34-3)20-25-14-11-22(12-15-25)10-13-23-6-4-8-26(30)18-23/h4-19,21H,20H2,1-3H3/b13-10+,17-16+ | 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 | 164 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167219
((E)-3-{3-[Isobutyryl-(4'-methylsulfanyl-biphenyl-4...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(SC)cc1)C(=O)C(C)C Show InChI InChI=1S/C28H29NO3S/c1-20(2)28(31)29(25-7-5-6-21(18-25)10-17-27(30)32-3)19-22-8-11-23(12-9-22)24-13-15-26(33-4)16-14-24/h5-18,20H,19H2,1-4H3/b17-10+ | 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 | 51 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167217
((E)-3-[3-(3-Isopropyl-1-{4-[(E)-2-(2,4,6-trimethyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(C)cc(C)cc2C)cc1)C(=O)NC(C)C Show InChI InChI=1S/C32H36N2O3/c1-22(2)33-32(36)34(29-9-7-8-27(20-29)15-17-31(35)37-6)21-28-12-10-26(11-13-28)14-16-30-24(4)18-23(3)19-25(30)5/h7-20,22H,21H2,1-6H3,(H,33,36)/b16-14+,17-15+ | 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 | 431 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167236
((E)-3-{3-[Cyclohexanecarbonyl-(4'-trifluoromethoxy...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H30F3NO4/c1-38-29(36)19-12-22-6-5-9-27(20-22)35(30(37)26-7-3-2-4-8-26)21-23-10-13-24(14-11-23)25-15-17-28(18-16-25)39-31(32,33)34/h5-6,9-20,26H,2-4,7-8,21H2,1H3/b19-12+ | 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 | 264 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167249
((E)-3-{3-[3-Isopropyl-1-(3'-methyl-biphenyl-4-ylme...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(C)c1)C(=O)NC(C)C Show InChI InChI=1S/C28H30N2O3/c1-20(2)29-28(32)30(26-10-6-8-22(18-26)13-16-27(31)33-4)19-23-11-14-24(15-12-23)25-9-5-7-21(3)17-25/h5-18,20H,19H2,1-4H3,(H,29,32)/b16-13+ | 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 | 1.33E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167161
((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Similars
| MMDB
Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167162
((E)-3-{3-[1-(4-Benzo[1,3]dioxol-5-yl-benzyl)-3-iso...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)NC(C)C Show InChI InChI=1S/C28H28N2O5/c1-19(2)29-28(32)30(24-6-4-5-20(15-24)9-14-27(31)33-3)17-21-7-10-22(11-8-21)23-12-13-25-26(16-23)35-18-34-25/h4-16,19H,17-18H2,1-3H3,(H,29,32)/b14-9+ | 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 | 96 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167169
((E)-3-(3-{[4-(2-tert-Butoxycarbonyl-ethyl)-benzyl]...)Show SMILES CC(C)(C)OC(=O)CCc1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC(C)(C)C)c2)cc1 Show InChI InChI=1S/C34H45NO5/c1-33(2,3)39-30(36)21-19-25-15-17-27(18-16-25)24-35(32(38)28-12-8-7-9-13-28)29-14-10-11-26(23-29)20-22-31(37)40-34(4,5)6/h10-11,14-18,20,22-23,28H,7-9,12-13,19,21,24H2,1-6H3/b22-20+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167176
((E)-3-{3-[(4-Benzo[1,3]dioxol-5-yl-benzyl)-cyclohe...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H31NO5/c1-35-30(33)17-12-22-6-5-9-27(18-22)32(31(34)25-7-3-2-4-8-25)20-23-10-13-24(14-11-23)26-15-16-28-29(19-26)37-21-36-28/h5-6,9-19,25H,2-4,7-8,20-21H2,1H3/b17-12+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167178
((E)-3-{3-[(2',6'-Dimethoxy-biphenyl-4-ylmethyl)-is...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1c(OC)cccc1OC)C(=O)C(C)C Show InChI InChI=1S/C29H31NO5/c1-20(2)29(32)30(24-9-6-8-21(18-24)14-17-27(31)35-5)19-22-12-15-23(16-13-22)28-25(33-3)10-7-11-26(28)34-4/h6-18,20H,19H2,1-5H3/b17-14+ | 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 | 95 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167181
((E)-3-[4-({Cyclohexanecarbonyl-[3-((E)-2-methoxyca...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OS(C)(=O)=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H39NO8S/c1-32(2,3)40-30(35)19-16-24-14-17-26(28(21-24)41-42(5,37)38)22-33(31(36)25-11-7-6-8-12-25)27-13-9-10-23(20-27)15-18-29(34)39-4/h9-10,13-21,25H,6-8,11-12,22H2,1-5H3/b18-15+,19-16+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167187
((E)-3-(3-{Cyclohexanecarbonyl-[4-((E)-2-methoxycar...)Show SMILES COC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1 Show InChI InChI=1S/C28H31NO5/c1-33-26(30)17-15-21-11-13-23(14-12-21)20-29(28(32)24-8-4-3-5-9-24)25-10-6-7-22(19-25)16-18-27(31)34-2/h6-7,10-19,24H,3-5,8-9,20H2,1-2H3/b17-15+,18-16+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167191
((E)-3-[4-({Benzoyl-[3-((E)-2-methoxycarbonyl-vinyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H31NO5/c1-31(2,3)37-29(34)20-17-23-13-15-25(16-14-23)22-32(30(35)26-10-6-5-7-11-26)27-12-8-9-24(21-27)18-19-28(33)36-4/h5-21H,22H2,1-4H3/b19-18+,20-17+ | 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 | 236 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167193
((E)-3-[3-Acetoxy-4-({cyclohexanecarbonyl-[3-((E)-2...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OC(C)=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C33H39NO7/c1-23(35)40-29-21-25(16-19-31(37)41-33(2,3)4)14-17-27(29)22-34(32(38)26-11-7-6-8-12-26)28-13-9-10-24(20-28)15-18-30(36)39-5/h9-10,13-21,26H,6-8,11-12,22H2,1-5H3/b18-15+,19-16+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167201
((E)-3-[3-(1-{4-[(E)-2-(3-Fluoro-phenyl)-vinyl]-ben...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(F)c2)cc1)C(=O)NC(C)C Show InChI InChI=1S/C29H29FN2O3/c1-21(2)31-29(34)32(27-9-5-7-24(19-27)16-17-28(33)35-3)20-25-14-11-22(12-15-25)10-13-23-6-4-8-26(30)18-23/h4-19,21H,20H2,1-3H3,(H,31,34)/b13-10+,17-16+ | 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 | 467 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167179
((E)-3-{3-[Cyclohexanecarbonyl-(3'-methoxy-biphenyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H33NO4/c1-35-29-13-7-11-27(21-29)25-17-14-24(15-18-25)22-32(31(34)26-9-4-3-5-10-26)28-12-6-8-23(20-28)16-19-30(33)36-2/h6-8,11-21,26H,3-5,9-10,22H2,1-2H3/b19-16+ | 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 |
Universidade de São Paulo
Curated by ChEMBL
| Assay Description
Effective concentration against farnesoid X receptor (FXR) |
Bioorg Med Chem Lett 15: 3119-25 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167198
((E)-3-{3-[Isobutyryl-(3'-trifluoromethoxy-biphenyl...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC(F)(F)F)c1)C(=O)C(C)C Show InChI InChI=1S/C28H26F3NO4/c1-19(2)27(34)32(24-8-4-6-20(16-24)12-15-26(33)35-3)18-21-10-13-22(14-11-21)23-7-5-9-25(17-23)36-28(29,30)31/h4-17,19H,18H2,1-3H3/b15-12+ | 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 | 247 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50167238
((E)-3-(3-{Cyclohexanecarbonyl-[4-((E)-2-dimethylca...)Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)N(C)C)cc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H34N2O4/c1-30(2)27(32)18-16-22-12-14-24(15-13-22)21-31(29(34)25-9-5-4-6-10-25)26-11-7-8-23(20-26)17-19-28(33)35-3/h7-8,11-20,25H,4-6,9-10,21H2,1-3H3/b18-16+,19-17+ | 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 | >1.00E+3 | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2005.04.017
BindingDB Entry DOI: 10.7270/Q2125S6Q |
More data for this
Ligand-Target Pair | |
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