Found 2 hits for monomerid = 50544026 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 |
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50544026
(CHEMBL4637696)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCC1)C(O)=O)-c1c(Cl)cccc1Cl |(66.8,-13.31,;67.42,-11.9,;68.95,-11.74,;66.52,-10.66,;64.98,-10.66,;64.51,-9.2,;65.75,-8.29,;66.99,-9.2,;68.46,-8.72,;69.61,-9.75,;71.07,-9.28,;72.21,-10.31,;73.67,-9.83,;74,-8.32,;72.84,-7.29,;71.38,-7.78,;75.46,-7.85,;76.7,-8.75,;77.95,-7.84,;79.45,-8.15,;80.47,-7.01,;79.99,-5.55,;78.49,-5.24,;77.47,-6.38,;75.93,-6.38,;75.02,-5.13,;75.27,-3.6,;73.74,-3.37,;73.5,-4.89,;81.01,-4.39,;82.52,-4.71,;80.53,-2.93,;65.74,-6.75,;67.08,-5.97,;68.41,-6.74,;67.07,-4.42,;65.73,-3.66,;64.4,-4.43,;64.4,-5.97,;63.07,-6.75,)| Show InChI InChI=1S/C31H27Cl2N3O4/c1-17(2)29-22(28(35-40-29)27-23(32)7-4-8-24(27)33)16-39-21-12-9-18(10-13-21)30-34-25-14-11-19(31(37)38)15-26(25)36(30)20-5-3-6-20/h4,7-15,17,20H,3,5-6,16H2,1-2H3,(H,37,38) | 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 | 1.10E+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)) | BDBM50544026
(CHEMBL4637696)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCC1)C(O)=O)-c1c(Cl)cccc1Cl |(66.8,-13.31,;67.42,-11.9,;68.95,-11.74,;66.52,-10.66,;64.98,-10.66,;64.51,-9.2,;65.75,-8.29,;66.99,-9.2,;68.46,-8.72,;69.61,-9.75,;71.07,-9.28,;72.21,-10.31,;73.67,-9.83,;74,-8.32,;72.84,-7.29,;71.38,-7.78,;75.46,-7.85,;76.7,-8.75,;77.95,-7.84,;79.45,-8.15,;80.47,-7.01,;79.99,-5.55,;78.49,-5.24,;77.47,-6.38,;75.93,-6.38,;75.02,-5.13,;75.27,-3.6,;73.74,-3.37,;73.5,-4.89,;81.01,-4.39,;82.52,-4.71,;80.53,-2.93,;65.74,-6.75,;67.08,-5.97,;68.41,-6.74,;67.07,-4.42,;65.73,-3.66,;64.4,-4.43,;64.4,-5.97,;63.07,-6.75,)| Show InChI InChI=1S/C31H27Cl2N3O4/c1-17(2)29-22(28(35-40-29)27-23(32)7-4-8-24(27)33)16-39-21-12-9-18(10-13-21)30-34-25-14-11-19(31(37)38)15-26(25)36(30)20-5-3-6-20/h4,7-15,17,20H,3,5-6,16H2,1-2H3,(H,37,38) | 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 | 14 | 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 | |