Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50005618
Substrate
n/a
Meas. Tech.
ChEMBL_491881 (CHEMBL946411)
EC50
0.002100±n/a nM
Citation
 Shimizu, M; Miyamoto, Y; Takaku, H; Matsuo, M; Nakabayashi, M; Masuno, H; Udagawa, N; DeLuca, HF; Ikura, T; Ito, N 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure. Bioorg Med Chem 16:6949-64 (2008) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
1,25-dihydroxyvitamin D3 receptor | Nr1i1 | Nuclear receptor subfamily 1 group I member 1 | VDR_MOUSE | Vdr | Vitamin D receptor | Vitamin D3 receptor
Type:
PROTEIN
Mol. Mass.:
47830.18
Organism:
Mus musculus
Description:
ChEMBL_491881
Residue:
422
Sequence:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMIMKRKEEEALKDSLRPKLSEEQQHIIAILLDAHHKTYDPTYADFRDFRPPIRADVSTGSYSPRPTLSFSGDSSSNSDLYTPSLDMMEPASFSTMDLNEEGSDDPSVTLDLSPLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSDDQIVLLKSSAIEVIMLRSNQSFTLDDMSWDCGSQDYKYDITDVSRAGHTLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAKLVEAIQDRLSNTLQTYIRCRHPPPGSHQLYAKMIQKLADLRSLNEEHSKQYRSLSFQPENSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50005618
Synonyms:
CHEMBL2021484
Type:
Small organic molecule
Emp. Form.:
C28H46O5S
Mol. Mass.:
494.727
SMILES:
CCC(O)(CC)CSC(C)C1=CCC2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,31.33,wD:24.26,26.28,t:10,@:26,(-13.31,14.84,;-14.79,14.44,;-15.19,12.96,;-13.71,13.35,;-14.1,11.87,;-12.62,12.26,;-16.68,12.56,;-17.77,13.65,;-19.28,13.33,;-20.31,14.47,;-19.75,11.86,;-18.85,10.61,;-19.75,9.37,;-21.22,9.84,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-22.55,7.53,;-23.88,6.76,;-23.88,5.22,;-25.22,4.45,;-25.22,2.91,;-26.55,2.14,;-23.88,2.14,;-23.88,.6,;-22.55,-.17,;-21.22,.6,;-19.88,-.17,;-22.55,2.91,;-21.22,2.14,;-22.55,4.45,)|
Structure:
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