Ki Summary

Reaction Details

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Target

Vitamin D3 receptor

Ligand

BDBM50544025

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1991216 (CHEMBL4624951)

IC50

160±n/a nM

Citation

Masuda, A; Gohda, K; Iguchi, Y; Fujimori, K; Yamashita, Y; Oda, K; Une, M; Teno, N N Bioorg Med Chem28:0 (2020) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Vitamin D3 receptor

Name:

Vitamin D3 receptor

Synonyms:

Type:

Protein

Mol. Mass.:

48288.72

Organism:

Homo sapiens (Human)

Description:

P11473

Residue:

427

Sequence:

MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTC
PFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSL
RPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSG
DSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQK
VIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDV
TKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLS
NTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLE
VFGNEIS

BDBM50544025

n/a

Name

BDBM50544025

Synonyms:

CHEMBL4636623

Type

Small organic molecule

Emp. Form.

C34H32Cl3N3O4

Mol. Mass.

652.995

SMILES

CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2CC2CCCCC2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(68.63,-53.77,;69.25,-52.36,;70.79,-52.2,;68.35,-51.11,;66.81,-51.11,;66.33,-49.65,;67.58,-48.74,;68.82,-49.65,;70.29,-49.17,;71.44,-50.2,;72.91,-49.73,;74.05,-50.76,;75.51,-50.28,;75.84,-48.77,;77.3,-48.3,;78.55,-49.2,;79.79,-48.29,;81.29,-48.6,;82.32,-47.46,;81.84,-45.99,;80.34,-45.68,;79.32,-46.83,;77.78,-46.83,;76.86,-45.58,;77.49,-44.18,;79.01,-44.02,;79.63,-42.62,;78.73,-41.38,;77.21,-41.54,;76.58,-42.95,;82.86,-44.84,;84.37,-45.15,;82.37,-43.37,;74.68,-47.74,;74.99,-46.23,;73.22,-48.22,;67.57,-47.19,;68.91,-46.42,;70.25,-47.19,;68.9,-44.86,;67.56,-44.1,;66.23,-44.87,;66.23,-46.42,;64.9,-47.19,)|

Structure