Found 72 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 |
|---|
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50437890
(CHEMBL2407936 | CHEMBL2407938)Show InChI InChI=1S/C22H23N3O/c1-25(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(24-26)19-12-14-23-15-13-19/h3-15,21-22H,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50437885
(CHEMBL2407949)Show InChI InChI=1S/C21H19BrN2O/c1-15-4-2-3-5-19(15)20(16-6-8-18(22)9-7-16)14-21(24-25)17-10-12-23-13-11-17/h2-13,20-21H,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50437884
(CHEMBL2407950)Show InChI InChI=1S/C22H21BrN2O/c1-15-5-3-4-6-20(15)21(17-7-9-19(23)10-8-17)14-22(25-26)18-11-12-24-16(2)13-18/h3-13,21-22H,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50437881
(CHEMBL2407953)Show SMILES Cc1cc(ccn1)C(CC(c1ccc(CC(O)=O)cc1)c1ccccc1C)N=O Show InChI InChI=1S/C24H24N2O3/c1-16-5-3-4-6-21(16)22(19-9-7-18(8-10-19)14-24(27)28)15-23(26-29)20-11-12-25-17(2)13-20/h3-13,22-23H,14-15H2,1-2H3,(H,27,28) | PDB
MMDB
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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50437878
(CHEMBL2407929)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50437883
(CHEMBL2407951)Show SMILES Cc1ccccc1C(CC(N=O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C22H21BrN2O2/c1-15-5-3-4-6-19(15)20(16-7-10-18(23)11-8-16)13-21(24-27)17-9-12-22(26)25(2)14-17/h3-12,14,20-21H,13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50437880
(CHEMBL2407955)Show SMILES Cc1cc(ccn1)C(CC(c1ccc(cc1)-c1cccc(c1)C(O)=O)c1ccccc1C)N=O Show InChI InChI=1S/C29H26N2O3/c1-19-6-3-4-9-26(19)27(18-28(31-34)24-14-15-30-20(2)16-24)22-12-10-21(11-13-22)23-7-5-8-25(17-23)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50437882
(CHEMBL2407952)Show SMILES Cc1cc(ccn1)C(CC(c1ccc(cc1)C(O)=O)c1ccccc1C)N=O Show InChI InChI=1S/C23H22N2O3/c1-15-5-3-4-6-20(15)21(17-7-9-18(10-8-17)23(26)27)14-22(25-28)19-11-12-24-16(2)13-19/h3-13,21-22H,14H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437876
(CHEMBL2407931)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437881
(CHEMBL2407953)Show SMILES Cc1cc(ccn1)C(CC(c1ccc(CC(O)=O)cc1)c1ccccc1C)N=O Show InChI InChI=1S/C24H24N2O3/c1-16-5-3-4-6-21(16)22(19-9-7-18(8-10-19)14-24(27)28)15-23(26-29)20-11-12-25-17(2)13-20/h3-13,22-23H,14-15H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437884
(CHEMBL2407950)Show InChI InChI=1S/C22H21BrN2O/c1-15-5-3-4-6-20(15)21(17-7-9-19(23)10-8-17)14-22(25-26)18-11-12-24-16(2)13-18/h3-13,21-22H,14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 740 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437892
(CHEMBL2407943)Show InChI InChI=1S/C22H23N3O/c1-25(2)19-13-11-18(12-14-19)20(17-8-4-3-5-9-17)16-22(24-26)21-10-6-7-15-23-21/h3-15,20,22H,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437894
(CHEMBL2407941)Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C23H23FN2O/c1-26(2)21-14-10-18(11-15-21)22(17-6-4-3-5-7-17)16-23(25-27)19-8-12-20(24)13-9-19/h3-15,22-23H,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437879
(CHEMBL2408107)Show SMILES Cc1cc(ccn1)C(C[C@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437878
(CHEMBL2407929)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 580 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437884
(CHEMBL2407950)Show InChI InChI=1S/C22H21BrN2O/c1-15-5-3-4-6-20(15)21(17-7-9-19(23)10-8-17)14-22(25-26)18-11-12-24-16(2)13-18/h3-13,21-22H,14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437885
(CHEMBL2407949)Show InChI InChI=1S/C21H19BrN2O/c1-15-4-2-3-5-19(15)20(16-6-8-18(22)9-7-16)14-21(24-25)17-10-12-23-13-11-17/h2-13,20-21H,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437872
(CHEMBL2407935)Show SMILES Cc1ccccc1[C@@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H24N2O4S/c1-16-6-4-5-7-20(16)21(17-8-11-19(12-9-17)30(3,28)29)14-22(24-27)18-10-13-23(26)25(2)15-18/h4-13,15,21-22H,14H2,1-3H3/t21-,22?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437876
(CHEMBL2407931)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437884
(CHEMBL2407950)Show InChI InChI=1S/C22H21BrN2O/c1-15-5-3-4-6-20(15)21(17-7-9-19(23)10-8-17)14-22(25-26)18-11-12-24-16(2)13-18/h3-13,21-22H,14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437891
(CHEMBL2407948)Show InChI InChI=1S/C18H23N3O/c1-4-14(15-5-7-17(8-6-15)21(2)3)13-18(20-22)16-9-11-19-12-10-16/h5-12,14,18H,4,13H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437895
(CHEMBL2407940)Show InChI InChI=1S/C23H24N2O/c1-25(2)21-15-13-19(14-16-21)22(18-9-5-3-6-10-18)17-23(24-26)20-11-7-4-8-12-20/h3-16,22-23H,17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437890
(CHEMBL2407936 | CHEMBL2407938)Show InChI InChI=1S/C22H23N3O/c1-25(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(24-26)19-12-14-23-15-13-19/h3-15,21-22H,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437873
(CHEMBL2407934)Show SMILES Cc1ccccc1[C@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H24N2O4S/c1-16-6-4-5-7-20(16)21(17-8-11-19(12-9-17)30(3,28)29)14-22(24-27)18-10-13-23(26)25(2)15-18/h4-13,15,21-22H,14H2,1-3H3/t21-,22?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437880
(CHEMBL2407955)Show SMILES Cc1cc(ccn1)C(CC(c1ccc(cc1)-c1cccc(c1)C(O)=O)c1ccccc1C)N=O Show InChI InChI=1S/C29H26N2O3/c1-19-6-3-4-9-26(19)27(18-28(31-34)24-14-15-30-20(2)16-24)22-12-10-21(11-13-22)23-7-5-8-25(17-23)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 860 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437883
(CHEMBL2407951)Show SMILES Cc1ccccc1C(CC(N=O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C22H21BrN2O2/c1-15-5-3-4-6-19(15)20(16-7-10-18(23)11-8-16)13-21(24-27)17-9-12-22(26)25(2)14-17/h3-12,14,20-21H,13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437886
(CHEMBL2407947)Show InChI InChI=1S/C21H22N4O/c1-25(2)18-8-6-16(7-9-18)19(20-5-3-4-12-23-20)15-21(24-26)17-10-13-22-14-11-17/h3-14,19,21H,15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437888
(CHEMBL2407945)Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1cccc(C)c1 Show InChI InChI=1S/C23H25N3O/c1-17-5-4-6-20(15-17)22(18-7-9-21(10-8-18)26(2)3)16-23(25-27)19-11-13-24-14-12-19/h4-15,22-23H,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437883
(CHEMBL2407951)Show SMILES Cc1ccccc1C(CC(N=O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C22H21BrN2O2/c1-15-5-3-4-6-19(15)20(16-7-10-18(23)11-8-16)13-21(24-27)17-9-12-22(26)25(2)14-17/h3-12,14,20-21H,13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437896
(CHEMBL2407939)Show SMILES CO\N=C(/CC(c1ccccc1)c1ccc(cc1)N(C)C)c1ccncc1 Show InChI InChI=1S/C23H25N3O/c1-26(2)21-11-9-19(10-12-21)22(18-7-5-4-6-8-18)17-23(25-27-3)20-13-15-24-16-14-20/h4-16,22H,17H2,1-3H3/b25-23+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437898
(CHEMBL2407937)Show InChI InChI=1S/C22H22N2O/c1-24(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(25)19-12-14-23-15-13-19/h3-15,21H,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437878
(CHEMBL2407929)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437878
(CHEMBL2407929)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437872
(CHEMBL2407935)Show SMILES Cc1ccccc1[C@@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H24N2O4S/c1-16-6-4-5-7-20(16)21(17-8-11-19(12-9-17)30(3,28)29)14-22(24-27)18-10-13-23(26)25(2)15-18/h4-13,15,21-22H,14H2,1-3H3/t21-,22?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437875
(CHEMBL2407932)Show SMILES Cc1ccccc1[C@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C29H26N2O4/c1-19-5-3-4-6-25(19)26(17-27(30-35)24-15-16-28(32)31(2)18-24)22-11-7-20(8-12-22)21-9-13-23(14-10-21)29(33)34/h3-16,18,26-27H,17H2,1-2H3,(H,33,34)/t26-,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437878
(CHEMBL2407929)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437877
(CHEMBL2407930)Show SMILES Cc1cc(ccn1)C(C[C@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437882
(CHEMBL2407952)Show SMILES Cc1cc(ccn1)C(CC(c1ccc(cc1)C(O)=O)c1ccccc1C)N=O Show InChI InChI=1S/C23H22N2O3/c1-15-5-3-4-6-20(15)21(17-7-9-18(10-8-17)23(26)27)14-22(25-28)19-11-12-24-16(2)13-19/h3-13,21-22H,14H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437885
(CHEMBL2407949)Show InChI InChI=1S/C21H19BrN2O/c1-15-4-2-3-5-19(15)20(16-6-8-18(22)9-7-16)14-21(24-25)17-10-12-23-13-11-17/h2-13,20-21H,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437878
(CHEMBL2407929)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437875
(CHEMBL2407932)Show SMILES Cc1ccccc1[C@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C29H26N2O4/c1-19-5-3-4-6-25(19)26(17-27(30-35)24-15-16-28(32)31(2)18-24)22-11-7-20(8-12-22)21-9-13-23(14-10-21)29(33)34/h3-16,18,26-27H,17H2,1-2H3,(H,33,34)/t26-,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437889
(CHEMBL2407944)Show InChI InChI=1S/C23H25N3O/c1-17-6-4-5-7-21(17)22(18-8-10-20(11-9-18)26(2)3)16-23(25-27)19-12-14-24-15-13-19/h4-15,22-23H,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437879
(CHEMBL2408107)Show SMILES Cc1cc(ccn1)C(C[C@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437877
(CHEMBL2407930)Show SMILES Cc1cc(ccn1)C(C[C@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437882
(CHEMBL2407952)Show SMILES Cc1cc(ccn1)C(CC(c1ccc(cc1)C(O)=O)c1ccccc1C)N=O Show InChI InChI=1S/C23H22N2O3/c1-15-5-3-4-6-20(15)21(17-7-9-18(10-8-17)23(26)27)14-22(25-28)19-11-12-24-16(2)13-19/h3-13,21-22H,14H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437873
(CHEMBL2407934)Show SMILES Cc1ccccc1[C@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H24N2O4S/c1-16-6-4-5-7-20(16)21(17-8-11-19(12-9-17)30(3,28)29)14-22(24-27)18-10-13-23(26)25(2)15-18/h4-13,15,21-22H,14H2,1-3H3/t21-,22?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437875
(CHEMBL2407932)Show SMILES Cc1ccccc1[C@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C29H26N2O4/c1-19-5-3-4-6-25(19)26(17-27(30-35)24-15-16-28(32)31(2)18-24)22-11-7-20(8-12-22)21-9-13-23(14-10-21)29(33)34/h3-16,18,26-27H,17H2,1-2H3,(H,33,34)/t26-,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437886
(CHEMBL2407947)Show InChI InChI=1S/C21H22N4O/c1-25(2)18-8-6-16(7-9-18)19(20-5-3-4-12-23-20)15-21(24-26)17-10-13-22-14-11-17/h3-14,19,21H,15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 380 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437887
(CHEMBL2407946)Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O/c1-17-4-6-18(7-5-17)22(19-8-10-21(11-9-19)26(2)3)16-23(25-27)20-12-14-24-15-13-20/h4-15,22-23H,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437888
(CHEMBL2407945)Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1cccc(C)c1 Show InChI InChI=1S/C23H25N3O/c1-17-5-4-6-20(15-17)22(18-7-9-21(10-8-18)26(2)3)16-23(25-27)19-11-13-24-14-12-19/h4-15,22-23H,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437889
(CHEMBL2407944)Show InChI InChI=1S/C23H25N3O/c1-17-6-4-5-7-21(17)22(18-8-10-20(11-9-18)26(2)3)16-23(25-27)19-12-14-24-15-13-19/h4-15,22-23H,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50300199
(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r| Show InChI InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437872
(CHEMBL2407935)Show SMILES Cc1ccccc1[C@@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H24N2O4S/c1-16-6-4-5-7-20(16)21(17-8-11-19(12-9-17)30(3,28)29)14-22(24-27)18-10-13-23(26)25(2)15-18/h4-13,15,21-22H,14H2,1-3H3/t21-,22?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437874
(CHEMBL2407933)Show SMILES Cc1ccccc1[C@@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C29H26N2O4/c1-19-5-3-4-6-25(19)26(17-27(30-35)24-15-16-28(32)31(2)18-24)22-11-7-20(8-12-22)21-9-13-23(14-10-21)29(33)34/h3-16,18,26-27H,17H2,1-2H3,(H,33,34)/t26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437878
(CHEMBL2407929)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437877
(CHEMBL2407930)Show SMILES Cc1cc(ccn1)C(C[C@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437876
(CHEMBL2407931)Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437887
(CHEMBL2407946)Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O/c1-17-4-6-18(7-5-17)22(19-8-10-21(11-9-19)26(2)3)16-23(25-27)20-12-14-24-15-13-20/h4-15,22-23H,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437881
(CHEMBL2407953)Show SMILES Cc1cc(ccn1)C(CC(c1ccc(CC(O)=O)cc1)c1ccccc1C)N=O Show InChI InChI=1S/C24H24N2O3/c1-16-5-3-4-6-21(16)22(19-9-7-18(8-10-19)14-24(27)28)15-23(26-29)20-11-12-25-17(2)13-20/h3-13,22-23H,14-15H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437890
(CHEMBL2407936 | CHEMBL2407938)Show InChI InChI=1S/C22H23N3O/c1-25(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(24-26)19-12-14-23-15-13-19/h3-15,21-22H,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437890
(CHEMBL2407936 | CHEMBL2407938)Show InChI InChI=1S/C22H23N3O/c1-25(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(24-26)19-12-14-23-15-13-19/h3-15,21-22H,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437885
(CHEMBL2407949)Show InChI InChI=1S/C21H19BrN2O/c1-15-4-2-3-5-19(15)20(16-6-8-18(22)9-7-16)14-21(24-25)17-10-12-23-13-11-17/h2-13,20-21H,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 880 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437883
(CHEMBL2407951)Show SMILES Cc1ccccc1C(CC(N=O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C22H21BrN2O2/c1-15-5-3-4-6-19(15)20(16-7-10-18(23)11-8-16)13-21(24-27)17-9-12-22(26)25(2)14-17/h3-12,14,20-21H,13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437889
(CHEMBL2407944)Show InChI InChI=1S/C23H25N3O/c1-17-6-4-5-7-21(17)22(18-8-10-20(11-9-18)26(2)3)16-23(25-27)19-12-14-24-15-13-19/h4-15,22-23H,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437890
(CHEMBL2407936 | CHEMBL2407938)Show InChI InChI=1S/C22H23N3O/c1-25(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(24-26)19-12-14-23-15-13-19/h3-15,21-22H,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437874
(CHEMBL2407933)Show SMILES Cc1ccccc1[C@@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C29H26N2O4/c1-19-5-3-4-6-25(19)26(17-27(30-35)24-15-16-28(32)31(2)18-24)22-11-7-20(8-12-22)21-9-13-23(14-10-21)29(33)34/h3-16,18,26-27H,17H2,1-2H3,(H,33,34)/t26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437880
(CHEMBL2407955)Show SMILES Cc1cc(ccn1)C(CC(c1ccc(cc1)-c1cccc(c1)C(O)=O)c1ccccc1C)N=O Show InChI InChI=1S/C29H26N2O3/c1-19-6-3-4-9-26(19)27(18-28(31-34)24-14-15-30-20(2)16-24)22-12-10-21(11-13-22)23-7-5-8-25(17-23)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437893
(CHEMBL2407942)Show InChI InChI=1S/C22H23N3O/c1-25(2)20-12-10-18(11-13-20)21(17-7-4-3-5-8-17)15-22(24-26)19-9-6-14-23-16-19/h3-14,16,21-22H,15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437873
(CHEMBL2407934)Show SMILES Cc1ccccc1[C@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H24N2O4S/c1-16-6-4-5-7-20(16)21(17-8-11-19(12-9-17)30(3,28)29)14-22(24-27)18-10-13-23(26)25(2)15-18/h4-13,15,21-22H,14H2,1-3H3/t21-,22?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50437888
(CHEMBL2407945)Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1cccc(C)c1 Show InChI InChI=1S/C23H25N3O/c1-17-5-4-6-20(15-17)22(18-7-9-21(10-8-18)26(2)3)16-23(25-27)19-11-13-24-14-12-19/h4-15,22-23H,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437874
(CHEMBL2407933)Show SMILES Cc1ccccc1[C@@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C29H26N2O4/c1-19-5-3-4-6-25(19)26(17-27(30-35)24-15-16-28(32)31(2)18-24)22-11-7-20(8-12-22)21-9-13-23(14-10-21)29(33)34/h3-16,18,26-27H,17H2,1-2H3,(H,33,34)/t26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50437879
(CHEMBL2408107)Show SMILES Cc1cc(ccn1)C(C[C@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells |
Bioorg Med Chem Lett 23: 4627-32 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.017
BindingDB Entry DOI: 10.7270/Q2833TF1 |
More data for this
Ligand-Target Pair | |
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