Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50544012' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50544012
![PNG](/data/jpeg/tenK5054/BindingDB_50544012.png) (CHEMBL4632880)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C(C)C)C(O)=O)-c1c(Cl)cccc1Cl |(35.36,-53.52,;35.99,-52.11,;37.52,-51.95,;35.08,-50.87,;33.54,-50.87,;33.07,-49.4,;34.31,-48.49,;35.56,-49.4,;37.02,-48.92,;38.17,-49.95,;39.64,-49.48,;40.78,-50.51,;42.24,-50.04,;42.57,-48.53,;41.41,-47.49,;39.95,-47.98,;44.03,-48.05,;45.27,-48.95,;46.52,-48.04,;48.02,-48.36,;49.05,-47.21,;48.57,-45.75,;47.07,-45.44,;46.05,-46.58,;44.5,-46.58,;43.59,-45.34,;44.21,-43.93,;42.07,-45.5,;49.58,-44.59,;51.1,-44.91,;49.1,-43.13,;34.3,-46.95,;35.64,-46.17,;36.98,-46.95,;35.63,-44.62,;34.3,-43.86,;32.97,-44.63,;32.96,-46.18,;31.63,-46.95,)| Show InChI InChI=1S/C30H27Cl2N3O4/c1-16(2)28-21(27(34-39-28)26-22(31)6-5-7-23(26)32)15-38-20-11-8-18(9-12-20)29-33-24-13-10-19(30(36)37)14-25(24)35(29)17(3)4/h5-14,16-17H,15H2,1-4H3,(H,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Hiroshima International University
Curated by ChEMBL
| Assay Description Agonist activity at human FXR expressed in human HuH7 cells by luciferase reporter gene assay |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115512 BindingDB Entry DOI: 10.7270/Q20G3PQ8 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50544012
![PNG](/data/jpeg/tenK5054/BindingDB_50544012.png) (CHEMBL4632880)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C(C)C)C(O)=O)-c1c(Cl)cccc1Cl |(35.36,-53.52,;35.99,-52.11,;37.52,-51.95,;35.08,-50.87,;33.54,-50.87,;33.07,-49.4,;34.31,-48.49,;35.56,-49.4,;37.02,-48.92,;38.17,-49.95,;39.64,-49.48,;40.78,-50.51,;42.24,-50.04,;42.57,-48.53,;41.41,-47.49,;39.95,-47.98,;44.03,-48.05,;45.27,-48.95,;46.52,-48.04,;48.02,-48.36,;49.05,-47.21,;48.57,-45.75,;47.07,-45.44,;46.05,-46.58,;44.5,-46.58,;43.59,-45.34,;44.21,-43.93,;42.07,-45.5,;49.58,-44.59,;51.1,-44.91,;49.1,-43.13,;34.3,-46.95,;35.64,-46.17,;36.98,-46.95,;35.63,-44.62,;34.3,-43.86,;32.97,-44.63,;32.96,-46.18,;31.63,-46.95,)| Show InChI InChI=1S/C30H27Cl2N3O4/c1-16(2)28-21(27(34-39-28)26-22(31)6-5-7-23(26)32)15-38-20-11-8-18(9-12-20)29-33-24-13-10-19(30(36)37)14-25(24)35(29)17(3)4/h5-14,16-17H,15H2,1-4H3,(H,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a |
Hiroshima International University
Curated by ChEMBL
| Assay Description Agonist activity at GST-fused FXR-LBD (unknown origin) incubated with Fluorecein-SRC2-2 coactivator peptide as substrate by TR-FRET assay |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115512 BindingDB Entry DOI: 10.7270/Q20G3PQ8 |
More data for this Ligand-Target Pair | |