Found 3 hits for monomerid = 50123609 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
(Homo sapiens (Human)) | BDBM50123609
(CHEMBL3622724)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C(C)C |t:5| Show InChI InChI=1S/C24H36O2/c1-17(2)13-14-23-21(11-8-12-22(23)18(3)4)15-19(5)9-7-10-20(6)16-24(25)26/h7,9-10,15-18H,8,11-14H2,1-6H3,(H,25,26)/b10-7+,19-9-,20-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB PubMed
| n/a | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay |
J Med Chem 58: 7763-74 (2015)
BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123609
(CHEMBL3622724)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C(C)C |t:5| Show InChI InChI=1S/C24H36O2/c1-17(2)13-14-23-21(11-8-12-22(23)18(3)4)15-19(5)9-7-10-20(6)16-24(25)26/h7,9-10,15-18H,8,11-14H2,1-6H3,(H,25,26)/b10-7+,19-9-,20-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD by fluorescence quenching method |
J Med Chem 58: 7763-74 (2015)
BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123609
(CHEMBL3622724)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C(C)C |t:5| Show InChI InChI=1S/C24H36O2/c1-17(2)13-14-23-21(11-8-12-22(23)18(3)4)15-19(5)9-7-10-20(6)16-24(25)26/h7,9-10,15-18H,8,11-14H2,1-6H3,(H,25,26)/b10-7+,19-9-,20-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha LBD expressed in HEK293 cells transfected with Gal4 reporter assessed as increase of transcription by dual lucifer... |
J Med Chem 58: 7763-74 (2015)
BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |