Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50417517
Substrate
n/a
Meas. Tech.
ChEMBL_695918 (CHEMBL1641105)
Ki
0.1±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:
BDBM50417517
Synonyms:
CHEMBL1630757
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,wD:26.28,1.1,(14.49,-28.73,;13.13,-29.45,;13.13,-30.99,;11.83,-28.64,;10.47,-29.37,;9.16,-28.56,;7.8,-29.29,;6.46,-28.53,;7.82,-30.83,;8.71,-32.07,;7.8,-33.31,;6.35,-32.82,;5.03,-33.59,;3.68,-32.83,;3.69,-31.28,;5.03,-30.51,;6.36,-31.29,;6.35,-29.75,;5.03,-35.13,;3.69,-35.9,;3.69,-37.44,;5.02,-38.22,;5.02,-39.76,;6.36,-40.53,;3.69,-40.52,;3.69,-42.06,;2.36,-39.76,;1.03,-40.53,;2.36,-38.22,)|
Structure:
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