Found 3 hits for monomerid = 50544013 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Bile acid receptor FXR
(Homo sapiens (Human)) | BDBM50544013
(CHEMBL4638567)Show SMILES CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(71.43,-43.38,;72.33,-44.62,;73.86,-44.45,;74.48,-43.05,;73.57,-41.81,;74.77,-45.7,;74.3,-47.17,;75.54,-48.07,;76.78,-47.16,;78.28,-47.47,;79.31,-46.33,;78.83,-44.86,;77.33,-44.56,;76.31,-45.7,;79.85,-43.71,;81.36,-44.03,;79.37,-42.25,;72.83,-47.65,;72.5,-49.16,;71.05,-49.63,;69.9,-48.6,;68.44,-49.07,;67.29,-48.04,;65.82,-48.52,;65.35,-49.99,;63.81,-49.99,;63.33,-48.52,;64.57,-47.61,;64.56,-46.07,;65.9,-45.29,;67.24,-46.06,;65.9,-43.74,;64.56,-42.98,;63.23,-43.75,;63.23,-45.29,;61.9,-46.07,;66.25,-51.23,;65.62,-52.64,;67.78,-51.07,;70.22,-47.1,;71.68,-46.61,)| Show InChI InChI=1S/C32H31Cl2N3O4/c1-5-21(6-2)37-27-16-20(32(38)39)12-15-26(27)35-31(37)19-10-13-22(14-11-19)40-17-23-29(36-41-30(23)18(3)4)28-24(33)8-7-9-25(28)34/h7-16,18,21H,5-6,17H2,1-4H3,(H,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | n/a | n/a | 27 | 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)
|
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50544013
(CHEMBL4638567)Show SMILES CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(71.43,-43.38,;72.33,-44.62,;73.86,-44.45,;74.48,-43.05,;73.57,-41.81,;74.77,-45.7,;74.3,-47.17,;75.54,-48.07,;76.78,-47.16,;78.28,-47.47,;79.31,-46.33,;78.83,-44.86,;77.33,-44.56,;76.31,-45.7,;79.85,-43.71,;81.36,-44.03,;79.37,-42.25,;72.83,-47.65,;72.5,-49.16,;71.05,-49.63,;69.9,-48.6,;68.44,-49.07,;67.29,-48.04,;65.82,-48.52,;65.35,-49.99,;63.81,-49.99,;63.33,-48.52,;64.57,-47.61,;64.56,-46.07,;65.9,-45.29,;67.24,-46.06,;65.9,-43.74,;64.56,-42.98,;63.23,-43.75,;63.23,-45.29,;61.9,-46.07,;66.25,-51.23,;65.62,-52.64,;67.78,-51.07,;70.22,-47.1,;71.68,-46.61,)| Show InChI InChI=1S/C32H31Cl2N3O4/c1-5-21(6-2)37-27-16-20(32(38)39)12-15-26(27)35-31(37)19-10-13-22(14-11-19)40-17-23-29(36-41-30(23)18(3)4)28-24(33)8-7-9-25(28)34/h7-16,18,21H,5-6,17H2,1-4H3,(H,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | 5.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima International University
Curated by ChEMBL
| Assay Description Antagonist activity at human VDR transfected in HEK293T cells measured after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem 28: (2020)
|
More data for this Ligand-Target Pair | |
Bile acid receptor FXR
(Homo sapiens (Human)) | BDBM50544013
(CHEMBL4638567)Show SMILES CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(71.43,-43.38,;72.33,-44.62,;73.86,-44.45,;74.48,-43.05,;73.57,-41.81,;74.77,-45.7,;74.3,-47.17,;75.54,-48.07,;76.78,-47.16,;78.28,-47.47,;79.31,-46.33,;78.83,-44.86,;77.33,-44.56,;76.31,-45.7,;79.85,-43.71,;81.36,-44.03,;79.37,-42.25,;72.83,-47.65,;72.5,-49.16,;71.05,-49.63,;69.9,-48.6,;68.44,-49.07,;67.29,-48.04,;65.82,-48.52,;65.35,-49.99,;63.81,-49.99,;63.33,-48.52,;64.57,-47.61,;64.56,-46.07,;65.9,-45.29,;67.24,-46.06,;65.9,-43.74,;64.56,-42.98,;63.23,-43.75,;63.23,-45.29,;61.9,-46.07,;66.25,-51.23,;65.62,-52.64,;67.78,-51.07,;70.22,-47.1,;71.68,-46.61,)| Show InChI InChI=1S/C32H31Cl2N3O4/c1-5-21(6-2)37-27-16-20(32(38)39)12-15-26(27)35-31(37)19-10-13-22(14-11-19)40-17-23-29(36-41-30(23)18(3)4)28-24(33)8-7-9-25(28)34/h7-16,18,21H,5-6,17H2,1-4H3,(H,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | n/a | n/a | 0.800 | 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)
|
More data for this Ligand-Target Pair | |