Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50417519
Substrate
n/a
Meas. Tech.
ChEMBL_695917 (CHEMBL1641104)
Ki
0.02±n/a nM
Citation
 Grzywacz, P; Chiellini, G; Plum, LA; Clagett-Dame, M; DeLuca, HF Removal of the 26-methyl group from 19-nor-1a,25-dihydroxyvitamin D3 markedly reduces in vivo calcemic activity without altering in vitro VDR binding, HL-60 cell differentiation, and transcription. J Med Chem 53:8642-9 (2010) [PubMed]  Article 
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:
BDBM50417519
Synonyms:
CHEMBL1630759
Type:
Small organic molecule
Emp. Form.:
C26H44O3
Mol. Mass.:
404.6258
SMILES:
C[C@@H](O)CCC[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)[C@H](O)C1 |r,wU:22.24,11.10,16.18,8.7,6.6,1.1,wD:26.28,(1.96,-41.79,;.6,-42.52,;.6,-44.06,;-.7,-41.71,;-2.06,-42.44,;-3.37,-41.62,;-4.73,-42.35,;-6.07,-41.6,;-4.71,-43.89,;-3.82,-45.14,;-4.73,-46.37,;-6.18,-45.89,;-7.5,-46.66,;-8.85,-45.89,;-8.84,-44.35,;-7.5,-43.58,;-6.17,-44.36,;-6.18,-42.82,;-7.5,-48.2,;-8.84,-48.97,;-8.84,-50.51,;-7.51,-51.29,;-7.51,-52.83,;-6.17,-53.6,;-8.84,-53.59,;-8.84,-55.13,;-10.17,-52.83,;-11.51,-53.6,;-10.17,-51.29,)|
Structure:
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