Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50198707
Substrate
n/a
Meas. Tech.
ChEMBL_435196 (CHEMBL904580)
EC50
0.07±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:
BDBM50198707
Synonyms:
(2Z)-(20S)-1alpha,25-dihydroxy-2-[2''''-(fluoroethylidene)]-19-norvitamin D3 | CHEMBL226380 | CHEMBL388138 | (2E)-(20S)-1alpha,25-dihydroxy-2-[2''-(fluoroethylidene)]-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:23.25,1.0,wD:29.31,(25.28,-25.48,;26.31,-26.62,;27.81,-26.31,;28.29,-24.84,;29.8,-24.53,;30.28,-23.07,;31.76,-23.5,;28.8,-22.64,;30.67,-21.57,;25.82,-28.08,;26.72,-29.33,;25.81,-30.57,;24.35,-30.1,;23.01,-30.86,;21.68,-30.09,;21.69,-28.55,;23.02,-27.77,;24.35,-28.56,;24.34,-27.01,;23.01,-32.4,;21.69,-33.17,;21.69,-34.71,;23.01,-35.49,;23.01,-37.03,;24.34,-37.8,;21.69,-37.79,;21.69,-39.33,;23.01,-40.1,;24.35,-39.33,;20.36,-37.03,;19.02,-37.8,;20.36,-35.49,)|
Structure:
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