BDBM50153707 CHEMBL3775824
SMILES: CC(C)CN1CCc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1
InChI Key: InChIKey=PRJBEVDNTURUGU-YHEXHBFFSA-N
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)) | BDBM50153707 (CHEMBL3775824) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay | ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50153707 (CHEMBL3775824) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay | J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50153707 (CHEMBL3775824) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay | J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50153707 (CHEMBL3775824) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay | ACS Med Chem Lett 7: 94-9 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XHZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |