BDBM50329714 (2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-5-phenylpentyloxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol::CHEMBL1271050
SMILES: CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCc2ccccc2)c(C)c1
InChI Key: InChIKey=RWAPELCWQCRUFU-JKNLKRECSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Androgen Receptor (Mus musculus) | BDBM50329714 ((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-5-phenylpe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati... | Bioorg Med Chem Lett 20: 6661-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.011 BindingDB Entry DOI: 10.7270/Q20K29J4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM50329714 ((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-5-phenylpe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Vitamin-D activity at VDR receptor in human HL60 cells assessed as induction of cell differentiation by NBT reduction assay | Bioorg Med Chem Lett 20: 6661-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.011 BindingDB Entry DOI: 10.7270/Q20K29J4 | |||||||||||
More data for this Ligand-Target Pair |