Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50223417
Substrate
n/a
Meas. Tech.
ChEMBL_214183 (CHEMBL820132)
IC50
>100±n/a nM
Citation
 Kato, Y; Nakano, Y; Sano, H; Tanatani, A; Kobayashi, H; Shimazawa, R; Koshino, H; Hashimoto, Y; Nagasawa, K Synthesis of 1alpha,25-dihydroxyvitamin D3-26,23-lactams (DLAMs), a novel series of 1 alpha,25-dihydroxyvitamin D3 antagonist. Bioorg Med Chem Lett 14:2579-83 (2004) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
NR1I1 | VDR | VDR_CHICK | Vitamin D receptor
Type:
PROTEIN
Mol. Mass.:
51292.53
Organism:
Gallus gallus
Description:
ChEMBL_214183
Residue:
451
Sequence:
MSELRGSWDEQQQSMAYLPDADMDTVAASTSLPDPAGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKAMFTCPFNGDCKITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKESLKPKLSEEQQKVIDTLLEAHHKTFDTTYSDFNKFRPPVRSKFSSRMATHSSSVVSQDFSSEDSNDVFGSDAFAAFPEPMEPQMFSNLDLSEESDESPSMNIELPHLPMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKSSAIEVIMLRSNQSFTMEDMSWTCGSNDFKYKVSDVTQAGHSMDLLEPLVKFQVGLKKLNLHEEEHVLLMAICILSPDRPGVQDTSLVESIQDRLSDILQTYIRCRHPPPGSRLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPEHSMQLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50223417
Synonyms:
CHEMBL3350292
Type:
Small organic molecule
Emp. Form.:
C28H43NO4
Mol. Mass.:
457.6453
SMILES:
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)C[C@@H]1C[C@](C)(O)C(=O)N1C
Structure:
Search PDB for entries with ligand similarity: