Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50355019' 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)) | BDBM50355019
![PNG](/data/jpeg/tenK5035/BindingDB_50355019.png) (CHEMBL1835047)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2sc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(5.08,-27.37,;4.77,-28.88,;3.31,-29.36,;5.92,-29.9,;7.42,-29.58,;8.2,-30.91,;7.17,-32.06,;5.77,-31.44,;4.43,-32.21,;3.1,-31.45,;1.77,-32.22,;1.77,-33.77,;.44,-34.55,;-.9,-33.78,;-.9,-32.23,;.43,-31.46,;-2.23,-34.54,;-2.27,-36.08,;-3.63,-36.81,;-4.94,-36.01,;-6.4,-36.45,;-7.28,-35.19,;-6.35,-33.97,;-4.9,-34.48,;-3.54,-33.74,;-8.82,-35.16,;-9.56,-33.81,;-9.62,-36.48,;7.5,-33.56,;8.96,-34.02,;10.1,-32.98,;9.29,-35.52,;8.15,-36.57,;6.68,-36.1,;6.35,-34.59,;4.89,-34.12,)| Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)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(36-23)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 | 530 | 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)) | BDBM50355019
![PNG](/data/jpeg/tenK5035/BindingDB_50355019.png) (CHEMBL1835047)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2sc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(5.08,-27.37,;4.77,-28.88,;3.31,-29.36,;5.92,-29.9,;7.42,-29.58,;8.2,-30.91,;7.17,-32.06,;5.77,-31.44,;4.43,-32.21,;3.1,-31.45,;1.77,-32.22,;1.77,-33.77,;.44,-34.55,;-.9,-33.78,;-.9,-32.23,;.43,-31.46,;-2.23,-34.54,;-2.27,-36.08,;-3.63,-36.81,;-4.94,-36.01,;-6.4,-36.45,;-7.28,-35.19,;-6.35,-33.97,;-4.9,-34.48,;-3.54,-33.74,;-8.82,-35.16,;-9.56,-33.81,;-9.62,-36.48,;7.5,-33.56,;8.96,-34.02,;10.1,-32.98,;9.29,-35.52,;8.15,-36.57,;6.68,-36.1,;6.35,-34.59,;4.89,-34.12,)| Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)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(36-23)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 | 250 | 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 | |