BDBM50427840 CHEMBL2326074
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-c1ccno1)Cc1cc(O)ccc31
InChI Key: InChIKey=BTKBDYIATAATDW-SSRAHALTSA-N
Data: 3 IC50
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-related receptor alpha (Homo sapiens (Human)) | BDBM50427840 (CHEMBL2326074) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 482 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Medical Center Curated by ChEMBL | Assay Description Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis | J Med Chem 56: 2779-90 (2013) Article DOI: 10.1021/jm3013773 BindingDB Entry DOI: 10.7270/Q2CC121G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen-related receptor beta (Homo sapiens (Human)) | BDBM50427840 (CHEMBL2326074) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Medical Center Curated by ChEMBL | Assay Description Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis | J Med Chem 56: 2779-90 (2013) Article DOI: 10.1021/jm3013773 BindingDB Entry DOI: 10.7270/Q2CC121G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen-related receptor alpha (Homo sapiens (Human)) | BDBM50427840 (CHEMBL2326074) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Medical Center Curated by ChEMBL | Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method | J Med Chem 56: 2779-90 (2013) Article DOI: 10.1021/jm3013773 BindingDB Entry DOI: 10.7270/Q2CC121G | |||||||||||
More data for this Ligand-Target Pair |