Reaction Details | |||
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Target | 5-hydroxytryptamine receptor 1B | ||
Ligand | BDBM50306587 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_610954 (CHEMBL1070285) | ||
Ki | 0.43±n/a nM | ||
Citation | Nugiel, DA; Krumrine, JR; Hill, DC; Damewood, JR; Bernstein, PR; Sobotka-Briner, CD; Liu, J; Zacco, A; Pierson, ME De novo design of a picomolar nonbasic 5-HT(1B) receptor antagonist. J Med Chem53:1876-80 (2010) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
5-hydroxytryptamine receptor 1B | |||
Name: | 5-hydroxytryptamine receptor 1B | ||
Synonyms: | 5-HT-1B | 5-HT-1D-beta | 5-HT1B | 5-hydroxytryptamine receptor 1B (5-HT1B) | 5HT1B_HUMAN | HTR1B | HTR1DB | S12 | Serotonin (5-HT) receptor | Serotonin 1D beta receptor | Serotonin Receptor 1B | ||
Type: | G Protein-Coupled Receptor (GPCR) | ||
Mol. Mass.: | 43579.17 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Receptor binding assays were performed using human clone stably expressed in CHO cells | ||
Residue: | 390 | ||
Sequence: |
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BDBM50306587 | |||
n/a | |||
Name | BDBM50306587 | ||
Synonyms: | 6-Fluoro-N-(6-(4-methoxytetrahydro-2H-pyran-4-yl)pyridin-3-yl)-4-oxo-8-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4H-chromene-2-carboxamide | CHEMBL605785 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H27FN4O5 | ||
Mol. Mass. | 506.5255 | ||
SMILES | COC1(CCOCC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(-c4c(C)nn(C)c4C)c3o2)cn1 |(27.97,-16.65,;26.65,-17.44,;26.66,-18.99,;26.66,-20.53,;27.99,-21.29,;29.33,-20.52,;29.33,-18.98,;27.99,-18.21,;25.33,-18.23,;24,-19,;22.66,-18.23,;22.67,-16.69,;21.33,-15.93,;20,-16.7,;20,-18.24,;18.66,-15.93,;18.66,-14.39,;17.31,-13.61,;17.31,-12.07,;15.98,-14.4,;14.65,-13.63,;13.32,-14.4,;11.99,-13.63,;13.32,-15.95,;14.65,-16.72,;14.65,-18.27,;15.9,-19.17,;17.36,-18.7,;15.42,-20.64,;13.88,-20.64,;12.98,-21.89,;13.41,-19.17,;11.94,-18.7,;15.99,-15.94,;17.33,-16.71,;23.99,-15.92,;25.32,-16.68,)| | ||
Structure |