| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Vitamin D3 receptor |
|---|
| Ligand | BDBM50292704 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_510925 (CHEMBL1007259) |
|---|
| IC50 | 30±n/a nM |
|---|
| Citation |  Nakabayashi, M; Yamada, S; Yoshimoto, N; Tanaka, T; Igarashi, M; Ikura, T; Ito, N; Makishima, M; Tokiwa, H; DeLuca, HF; Shimizu, M Crystal structures of rat vitamin D receptor bound to adamantyl vitamin D analogs: structural basis for vitamin D receptor antagonism and partial agonism. J Med Chem51:5320-9 (2008) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Vitamin D3 receptor |
|---|
| Name: | Vitamin D3 receptor |
|---|
| Synonyms: | 1,25-dihydroxyvitamin D3 receptor | NR1I1 | Nuclear receptor subfamily 1 group I member 1 | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor | VDR | VDR_HUMAN |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 48288.72 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P11473 |
|---|
| Residue: | 427 |
|---|
| Sequence: | MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTC
PFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSL
RPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSG
DSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQK
VIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDV
TKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLS
NTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLE
VFGNEIS
|
|
|
|---|
| BDBM50292704 |
|---|
| n/a |
|---|
| Name | BDBM50292704 |
|---|
| Synonyms: | (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol | (25R)-26-adamantyl-1R,25-hydroxy-2-methylene-22,23-didehydro-19,27-dinor-20-epivitamin D3 | CHEMBL452878 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C36H54O3 |
|---|
| Mol. Mass. | 534.8122 |
|---|
| SMILES | [#6]-[#6@@H](\[#6]=[#6]\[#6]-[#6@@H](-[#8])-[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:11:12:10.9.15:16,THB:13:12:9:15.14.16,13:14:11.12.17:9,11:10:12.17.13:16| |
|---|
| Structure | 
|
|---|
Search and Browse
