Reaction Details | |||
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Target | Vitamin D3 receptor | ||
Ligand | BDBM50207113 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Dopamine D3 Receptor Binding Test | ||
Ki | 0.068±n/a nM | ||
Citation | Li, J; Chen, X; Ma, Z; Zhang, L; Cui, N Benzoisothiazole compounds and methods of treating schizophrenia US Patent US9550741 Publication Date 1/24/2017 | ||
More Info.: | Get all data from this article, Assay Method | ||
Vitamin D3 receptor | |||
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: |
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BDBM50207113 | |||
n/a | |||
Name | BDBM50207113 | ||
Synonyms: | CHEMBL3896937 | US9550741, IV-3 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H32N6OS | ||
Mol. Mass. | 464.626 | ||
SMILES | O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1 |r,wU:3.2,wD:6.6,(15.23,-21.5,;14.88,-22.99,;15.9,-24.12,;17.39,-23.82,;17.85,-22.32,;19.4,-22.02,;20.42,-23.15,;21.91,-22.84,;22.94,-23.97,;24.43,-23.66,;24.95,-22.17,;26.43,-21.87,;27.46,-22.99,;27,-24.48,;25.45,-24.79,;28.95,-22.68,;29.62,-21.3,;31.1,-21.45,;31.47,-22.94,;32.8,-23.71,;32.8,-25.25,;31.47,-26.02,;30.13,-25.25,;30.13,-23.71,;19.91,-24.63,;18.42,-24.95,;13.38,-23.35,;12.25,-22.27,;10.76,-22.68,;9.75,-21.6,;10.16,-20.12,;11.58,-19.7,;12.67,-20.78,)| | ||
Structure |