Found 2 hits for monomerid = 50238742 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 |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50238742
(CHEMBL4062045)Show SMILES NCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(26.16,-25.06,;27.49,-25.83,;28.82,-25.07,;30.15,-25.84,;31.49,-25.08,;32.82,-25.85,;32.82,-27.39,;34.16,-25.09,;35.5,-25.86,;36.83,-25.09,;36.83,-23.54,;38.16,-22.77,;39.5,-23.54,;39.5,-25.09,;38.16,-25.86,;40.83,-22.76,;42.16,-23.53,;42.17,-25.02,;40.98,-26.29,;42.47,-25.87,;43.88,-26.43,;44.89,-25.16,;43.49,-25.5,;44.91,-23.63,;43.5,-23.06,;42.46,-24.28,;40.82,-21.22,;42.16,-20.46,;42.15,-18.92,;40.81,-18.15,;40.81,-16.61,;39.48,-18.93,;39.49,-20.47,)| Show InChI InChI=1S/C29H34N2O2/c30-12-1-13-31-27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,32H,1,12-18,30H2,(H,31,33)/b11-4+,29-28- | PDB
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting |
J Med Chem 60: 6321-6336 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00585 BindingDB Entry DOI: 10.7270/Q2RB76V7 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50238742
(CHEMBL4062045)Show SMILES NCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(26.16,-25.06,;27.49,-25.83,;28.82,-25.07,;30.15,-25.84,;31.49,-25.08,;32.82,-25.85,;32.82,-27.39,;34.16,-25.09,;35.5,-25.86,;36.83,-25.09,;36.83,-23.54,;38.16,-22.77,;39.5,-23.54,;39.5,-25.09,;38.16,-25.86,;40.83,-22.76,;42.16,-23.53,;42.17,-25.02,;40.98,-26.29,;42.47,-25.87,;43.88,-26.43,;44.89,-25.16,;43.49,-25.5,;44.91,-23.63,;43.5,-23.06,;42.46,-24.28,;40.82,-21.22,;42.16,-20.46,;42.15,-18.92,;40.81,-18.15,;40.81,-16.61,;39.48,-18.93,;39.49,-20.47,)| Show InChI InChI=1S/C29H34N2O2/c30-12-1-13-31-27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,32H,1,12-18,30H2,(H,31,33)/b11-4+,29-28- | PDB
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Downregulation of human ERalpha in human MCF-7 cells after 24 hrs by in-cell Western immunoassay method |
J Med Chem 60: 6321-6336 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00585 BindingDB Entry DOI: 10.7270/Q2RB76V7 |
More data for this Ligand-Target Pair | |