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Target
Vitamin D3 receptor
Ligand
BDBM50446370
Substrate
n/a
Meas. Tech.
ChEMBL_1287003 (CHEMBL3111314)
IC50
4400±n/a nM
Citation
 Sidhu, PS; Nassif, N; McCallum, MM; Teske, K; Feleke, B; Yuan, NY; Nandhikonda, P; Cook, JM; Singh, RK; Bikle, DD; Arnold, LA Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett 5:199-204 (2014) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
1,25-dihydroxyvitamin D3 receptor | NR1I1 | Nuclear receptor subfamily 1 group I member 1 | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor | VDR | VDR_HUMAN
Type:
Protein
Mol. Mass.:
48288.72
Organism:
Homo sapiens (Human)
Description:
P11473
Residue:
427
Sequence:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50446370
Synonyms:
CHEMBL3109598
Type:
Small organic molecule
Emp. Form.:
C25H23F3N2O2
Mol. Mass.:
440.4575
SMILES:
COc1ccc(NC(c2c(C)[nH]c3ccccc23)c2ccc(cc2)C(F)(F)F)cc1OC
Structure:
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