Found 72 hits with Last Name = 'alvarez sánchez' and Initial = 'r' 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 | |
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 | |
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)) | 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)) | 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)) | 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
(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)) | 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)) | 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
(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
(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
(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
(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
(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
(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
(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
(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) | 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) | 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) | 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) | 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) | 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) | 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) | 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
(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 | |
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) | 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) | 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
(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) | 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
(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
(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) | 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
(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
(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)) | 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)) | 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)) | 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)) | 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)) | 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 | |