Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50104641
Substrate
n/a
Meas. Tech.
ChEMBL_1505946 (CHEMBL3595548)
Ki
20.0±n/a nM
Citation
Kulesza, U; Plum, LA; DeLuca, HF; Mouriņo, A; Sicinski, RR Novel 9-Alkyl- and 9-Alkylidene-Substituted 1a,25-Dihydroxyvitamin D3 Analogues: Synthesis and Biological Examinations. J Med Chem 58:6237-47 (2015) [PubMed] Article
More Info.:
Target
Name:
Vitamin D3 receptor
Synonyms:
Nr1i1 | VDR_RAT | Vdr | Vitamin D receptor
Type:
PROTEIN
Mol. Mass.:
47811.07
Organism:
Rattus norvegicus
Description:
ChEMBL_1505946
Residue:
423
Sequence:
MEATAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMIMKRKEEEALKDSLRPKLSEEQQHIIAILLDAHHKTYDPTYADFRDFRPPVRMDGSTGSYSPRPTLSFSGNSSSSSSDLYTTSLDMMEPSGFSNLDLNGEDSDDPSVTLDLSPLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSDDQIVLLKSSAIEVIMLRSNQSFTMDDMSWDCGSQDYKYDVTDVSKAGHTLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAKLVEAIQDRLSNTLQTYIRCRHPPPGSHQLYAKMIQKLADLRSLNEEHSKQYRSLSFQPENSMKLTPLVLEVFGNEIS
Inhibitor
Name:
BDBM50104641
Synonyms:
CHEMBL3593366
Type:
Small organic molecule
Emp. Form.:
C27H44O3
Mol. Mass.:
416.6365
SMILES:
[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](=[#6]\[#6]=[#6]-3/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-3)-[#6](=[#6])-[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|