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Target
Vitamin D3 receptor
Ligand
BDBM50469128
Substrate
n/a
Meas. Tech.
ChEMBL_1803411 (CHEMBL4275703)
IC50
650±n/a nM
Citation
 Kang, ZS; Wang, C; Han, XL; Wang, B; Yuan, HL; Hou, SY; Hao, MX; Du, JJ; Li, YY; Zhou, AW; Zhang, C Sulfonyl-containing phenyl-pyrrolyl pentane analogues: Novel non-secosteroidal vitamin D receptor modulators with favorable physicochemical properties, pharmacokinetic properties and anti-tumor activity. Eur J Med Chem 157:1174-1191 (2018) [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:
BDBM50469128
Synonyms:
CHEMBL4290851
Type:
Small organic molecule
Emp. Form.:
C32H45N3O4S
Mol. Mass.:
567.782
SMILES:
CCN(CC)CCNC(=O)c1cc(cn1CC)C(CC)(CC)c1ccc(OCS(=O)(=O)c2ccccc2)c(C)c1
Structure:
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