BDBM20624 (1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol::17alpha-estradiol
SMILES: [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChI Key: InChIKey=VOXZDWNPVJITMN-SFFUCWETSA-N
PDB links: 21 PDB IDs match this monomer. 13 PDB IDs contain this monomer as substructures. 13 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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)) | BDBM20624 ((1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 570 | n/a | 1.5 | n/a | n/a | 7.4 | 22 |
Novartis Pharmaceuticals | Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... | J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Androgen receptor (Rattus norvegicus (Rat)) | BDBM20624 ((1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) | J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM20624 ((1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.23E+3 | n/a | 4.5 | n/a | n/a | 7.4 | 22 |
Novartis Pharmaceuticals | Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... | J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |