Reaction Details | |||
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Target | Neurotensin receptor type 1 | ||
Ligand | BDBM85050 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1874209 (CHEMBL4375498) | ||
IC50 | 4.0±n/a nM | ||
Citation | Pinkerton, AB; Peddibhotla, S; Yamamoto, F; Slosky, LM; Bai, Y; Maloney, P; Hershberger, P; Hedrick, MP; Falter, B; Ardecky, RJ; Smith, LH; Chung, TDY; Jackson, MR; Caron, MG; Barak, LS Discovery of ?-Arrestin Biased, Orally Bioavailable, and CNS Penetrant Neurotensin Receptor 1 (NTR1) Allosteric Modulators. J Med Chem62:8357-8363 (2019) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Neurotensin receptor type 1 | |||
Name: | Neurotensin receptor type 1 | ||
Synonyms: | Dopamine receptor D2L/neurotensin receptor NTS1 | NTR1_HUMAN | NTRR | NTSR1 | Neurotensin receptor 1 | neurotensin receptor type 1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 46278.89 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_1453811 | ||
Residue: | 418 | ||
Sequence: |
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BDBM85050 | |||
n/a | |||
Name | BDBM85050 | ||
Synonyms: | CAS_184162-64-9 | SR 142948A | SR142948 | SR142948A | ||
Type | Small organic molecule | ||
Emp. Form. | C39H51N5O6 | ||
Mol. Mass. | 685.8521 | ||
SMILES | [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)| | ||
Structure |