BDBM50055569 CHEMBL46937::[2-(4-Butyl-phenyl)-6-hydroxy-benzo[b]thiophen-3-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone
SMILES: CCCCc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
InChI Key: InChIKey=JMSHBDSUSOGKTP-UHFFFAOYSA-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)) | BDBM50055569 (CHEMBL46937 | [2-(4-Butyl-phenyl)-6-hydroxy-benzo[...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity to ERalpha ligand binding domain | ACS Med Chem Lett 3: 207-210 (2012) Article DOI: 10.1021/ml2002532 BindingDB Entry DOI: 10.7270/Q23F4QP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50055569 (CHEMBL46937 | [2-(4-Butyl-phenyl)-6-hydroxy-benzo[...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]estradiol from ERalpha after 4 hrs by scintillation counting | ACS Med Chem Lett 3: 207-210 (2012) Article DOI: 10.1021/ml2002532 BindingDB Entry DOI: 10.7270/Q23F4QP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50055569 (CHEMBL46937 | [2-(4-Butyl-phenyl)-6-hydroxy-benzo[...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]estradiol from ERbeta after 4 hrs by scintillation counting | ACS Med Chem Lett 3: 207-210 (2012) Article DOI: 10.1021/ml2002532 BindingDB Entry DOI: 10.7270/Q23F4QP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50055569 (CHEMBL46937 | [2-(4-Butyl-phenyl)-6-hydroxy-benzo[...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est... | J Med Chem 40: 146-67 (1997) Article DOI: 10.1021/jm9606352 BindingDB Entry DOI: 10.7270/Q2PZ5CKJ | |||||||||||
More data for this Ligand-Target Pair |