BDBM50189078 (S)(-)-9a-Butyl-6-ethyl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one::CHEMBL441366
SMILES: CCCC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(CC)C(=O)CC2
InChI Key: InChIKey=PYWHZNIQLVXCCU-IBGZPJMESA-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)) | BDBM50189078 ((S)(-)-9a-Butyl-6-ethyl-8,9,9a,10-tetrahydro-3H-1,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human recombinant ERalpha by scintillation proximity assay | Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50189078 ((S)(-)-9a-Butyl-6-ethyl-8,9,9a,10-tetrahydro-3H-1,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human recombinant ERbeta expressed in HEK293 cells by alkaline phosphatase reporter gene transactivation assay | Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50189078 ((S)(-)-9a-Butyl-6-ethyl-8,9,9a,10-tetrahydro-3H-1,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay | Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50189078 ((S)(-)-9a-Butyl-6-ethyl-8,9,9a,10-tetrahydro-3H-1,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human recombinant ERalpha expressed in HEK293 cells by alkaline phosphatase reporter gene transactivation assay | Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG | |||||||||||
More data for this Ligand-Target Pair |