Ki Summary

Reaction Details

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Target

Vitamin D3 receptor

Ligand

BDBM50544029

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1991216 (CHEMBL4624951)

IC50

>10000±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

BDBM50544029

n/a

Name

BDBM50544029

Synonyms:

CHEMBL4638244

Type

Small organic molecule

Emp. Form.

C34H32Cl2N4O5

Mol. Mass.

647.548

SMILES

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCN(CC1)C(C)=O)C(O)=O)-c1c(Cl)cccc1Cl |(8.01,-54.55,;8.64,-53.14,;10.17,-52.98,;7.73,-51.9,;6.19,-51.9,;5.72,-50.43,;6.96,-49.53,;8.21,-50.44,;9.68,-49.95,;10.82,-50.99,;12.29,-50.51,;13.44,-51.54,;14.89,-51.07,;15.22,-49.56,;14.06,-48.53,;12.6,-49.01,;16.69,-49.08,;17.93,-49.98,;19.17,-49.08,;20.67,-49.39,;21.7,-48.24,;21.22,-46.78,;19.72,-46.47,;18.7,-47.61,;17.16,-47.62,;16.25,-46.37,;16.87,-44.97,;15.96,-43.73,;14.44,-43.89,;13.82,-45.29,;14.72,-46.53,;13.53,-42.65,;14.15,-41.25,;12.01,-42.81,;22.24,-45.63,;23.75,-45.94,;21.76,-44.16,;6.95,-47.98,;8.29,-47.21,;9.63,-47.98,;8.29,-45.65,;6.95,-44.89,;5.62,-45.66,;5.61,-47.21,;4.28,-47.98,)|

Structure