Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50355021' 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)) | BDBM50355021
![PNG](/data/jpeg/tenK5035/BindingDB_50355021.png) (CHEMBL1835048)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2oc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(25.35,-27.64,;25.04,-29.14,;23.58,-29.63,;26.19,-30.17,;27.69,-29.84,;28.47,-31.17,;27.44,-32.32,;26.03,-31.7,;24.7,-32.48,;23.37,-31.71,;22.04,-32.49,;22.04,-34.04,;20.7,-34.81,;19.37,-34.04,;19.37,-32.5,;20.7,-31.72,;18.04,-34.81,;18,-36.34,;16.64,-37.07,;15.33,-36.28,;13.86,-36.72,;12.99,-35.46,;13.92,-34.24,;15.37,-34.74,;16.73,-34,;11.44,-35.43,;10.7,-34.08,;10.65,-36.74,;27.77,-33.83,;29.23,-34.29,;30.36,-33.25,;29.56,-35.79,;28.42,-36.83,;26.95,-36.36,;26.62,-34.86,;25.16,-34.38,)| Show InChI InChI=1S/C28H21Cl2NO5/c1-15(2)27-20(26(31-36-27)25-21(29)4-3-5-22(25)30)14-34-19-9-6-16(7-10-19)17-8-11-23-18(12-17)13-24(35-23)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human FXR LBD transfected in african green monkey CV1 cells after overnight incubation by luciferase reporter gene assay |
Bioorg Med Chem Lett 21: 6154-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.034 BindingDB Entry DOI: 10.7270/Q2SB4640 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50355021
![PNG](/data/jpeg/tenK5035/BindingDB_50355021.png) (CHEMBL1835048)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2oc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(25.35,-27.64,;25.04,-29.14,;23.58,-29.63,;26.19,-30.17,;27.69,-29.84,;28.47,-31.17,;27.44,-32.32,;26.03,-31.7,;24.7,-32.48,;23.37,-31.71,;22.04,-32.49,;22.04,-34.04,;20.7,-34.81,;19.37,-34.04,;19.37,-32.5,;20.7,-31.72,;18.04,-34.81,;18,-36.34,;16.64,-37.07,;15.33,-36.28,;13.86,-36.72,;12.99,-35.46,;13.92,-34.24,;15.37,-34.74,;16.73,-34,;11.44,-35.43,;10.7,-34.08,;10.65,-36.74,;27.77,-33.83,;29.23,-34.29,;30.36,-33.25,;29.56,-35.79,;28.42,-36.83,;26.95,-36.36,;26.62,-34.86,;25.16,-34.38,)| Show InChI InChI=1S/C28H21Cl2NO5/c1-15(2)27-20(26(31-36-27)25-21(29)4-3-5-22(25)30)14-34-19-9-6-16(7-10-19)17-8-11-23-18(12-17)13-24(35-23)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 51 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human amino-terminal polyhistidine-tagged FXR alpha LBD (amino acids 237 to 472) assessed as cofactor peptide SRC-1 interaction w... |
Bioorg Med Chem Lett 21: 6154-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.034 BindingDB Entry DOI: 10.7270/Q2SB4640 |
More data for this Ligand-Target Pair | |