Found 3 hits for monomerid = 50544010 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)) | BDBM50544010
(CHEMBL4639724)Show SMILES CCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(73.99,-22.86,;73.37,-24.26,;74.28,-25.51,;73.8,-26.97,;75.05,-27.87,;76.29,-26.97,;77.79,-27.28,;78.82,-26.14,;78.34,-24.67,;76.84,-24.36,;75.82,-25.51,;79.36,-23.52,;80.86,-23.84,;78.87,-22.05,;72.34,-27.45,;72.01,-28.96,;70.56,-29.43,;69.41,-28.4,;67.95,-28.88,;66.8,-27.84,;65.33,-28.32,;64.86,-29.79,;63.32,-29.79,;62.84,-28.32,;64.09,-27.42,;64.08,-25.87,;65.42,-25.1,;66.75,-25.87,;65.41,-23.55,;64.07,-22.79,;62.74,-23.55,;62.74,-25.1,;61.41,-25.87,;65.76,-31.03,;65.14,-32.44,;67.29,-30.87,;69.72,-26.9,;71.19,-26.42,)| Show InChI InChI=1S/C29H25Cl2N3O4/c1-4-34-24-14-18(29(35)36)10-13-23(24)32-28(34)17-8-11-19(12-9-17)37-15-20-26(33-38-27(20)16(2)3)25-21(30)6-5-7-22(25)31/h5-14,16H,4,15H2,1-3H3,(H,35,36) | 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 | 19 | 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)) | BDBM50544010
(CHEMBL4639724)Show SMILES CCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(73.99,-22.86,;73.37,-24.26,;74.28,-25.51,;73.8,-26.97,;75.05,-27.87,;76.29,-26.97,;77.79,-27.28,;78.82,-26.14,;78.34,-24.67,;76.84,-24.36,;75.82,-25.51,;79.36,-23.52,;80.86,-23.84,;78.87,-22.05,;72.34,-27.45,;72.01,-28.96,;70.56,-29.43,;69.41,-28.4,;67.95,-28.88,;66.8,-27.84,;65.33,-28.32,;64.86,-29.79,;63.32,-29.79,;62.84,-28.32,;64.09,-27.42,;64.08,-25.87,;65.42,-25.1,;66.75,-25.87,;65.41,-23.55,;64.07,-22.79,;62.74,-23.55,;62.74,-25.1,;61.41,-25.87,;65.76,-31.03,;65.14,-32.44,;67.29,-30.87,;69.72,-26.9,;71.19,-26.42,)| Show InChI InChI=1S/C29H25Cl2N3O4/c1-4-34-24-14-18(29(35)36)10-13-23(24)32-28(34)17-8-11-19(12-9-17)37-15-20-26(33-38-27(20)16(2)3)25-21(30)6-5-7-22(25)31/h5-14,16H,4,15H2,1-3H3,(H,35,36) | 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 | 5.76E+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)) | BDBM50544010
(CHEMBL4639724)Show SMILES CCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(73.99,-22.86,;73.37,-24.26,;74.28,-25.51,;73.8,-26.97,;75.05,-27.87,;76.29,-26.97,;77.79,-27.28,;78.82,-26.14,;78.34,-24.67,;76.84,-24.36,;75.82,-25.51,;79.36,-23.52,;80.86,-23.84,;78.87,-22.05,;72.34,-27.45,;72.01,-28.96,;70.56,-29.43,;69.41,-28.4,;67.95,-28.88,;66.8,-27.84,;65.33,-28.32,;64.86,-29.79,;63.32,-29.79,;62.84,-28.32,;64.09,-27.42,;64.08,-25.87,;65.42,-25.1,;66.75,-25.87,;65.41,-23.55,;64.07,-22.79,;62.74,-23.55,;62.74,-25.1,;61.41,-25.87,;65.76,-31.03,;65.14,-32.44,;67.29,-30.87,;69.72,-26.9,;71.19,-26.42,)| Show InChI InChI=1S/C29H25Cl2N3O4/c1-4-34-24-14-18(29(35)36)10-13-23(24)32-28(34)17-8-11-19(12-9-17)37-15-20-26(33-38-27(20)16(2)3)25-21(30)6-5-7-22(25)31/h5-14,16H,4,15H2,1-3H3,(H,35,36) | 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 | 2.30 | 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 | |