Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50198705
Substrate
n/a
Meas. Tech.
ChEMBL_435196 (CHEMBL904580)
EC50
0.5±n/a nM
Citation
 Kobayashi, E; Shimazaki, M; Miyamoto, Y; Masuno, H; Yamamoto, K; DeLuca, HF; Yamada, S; Shimizu, M Structure-activity relationships of 19-norvitamin D analogs having a fluoroethylidene group at the C-2 position. Bioorg Med Chem 15:1475-82 (2007) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
1,25-dihydroxyvitamin D3 receptor | Nuclear receptor subfamily 1 group I member 1 | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor | VDR_HUMAN | VDR | NR1I1
Type:
Protein
Mol. Mass.:
48288.72
Organism:
Human
Description:
P11473
Residue:
427
Sequence:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50198705
Synonyms:
CHEMBL226435 | (2Z)-(20R)-1alpha,25-dihydroxy-2-[(2''''-hydroxyethylidene)]-19-norvitamin D3 | CHEMBL226328 | (2E)-(20R)-1alpha,25-dihydroxy-2-[(2''-hydroxyethylidene)]-19-norvitamin D3
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1 |w:12.11,17.19,9.9,wU:23.25,wD:29.31,1.0,(-1.19,-25.99,;-.16,-27.13,;1.34,-26.82,;1.82,-25.35,;3.33,-25.04,;3.81,-23.58,;5.29,-24.01,;2.33,-23.15,;4.2,-22.08,;-.65,-28.59,;.25,-29.84,;-.66,-31.09,;-2.12,-30.61,;-3.46,-31.37,;-4.79,-30.6,;-4.78,-29.06,;-3.45,-28.29,;-2.12,-29.07,;-2.13,-27.52,;-3.46,-32.91,;-4.78,-33.68,;-4.78,-35.22,;-3.46,-36,;-3.46,-37.54,;-2.13,-38.31,;-4.78,-38.3,;-4.78,-39.84,;-3.46,-40.61,;-2.12,-39.84,;-6.11,-37.54,;-7.45,-38.31,;-6.11,-36,)|
Structure:
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