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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Parathyroid hormone/parathyroid hormone-related peptide receptor | ||
| Ligand | BDBM50600482 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2234293 (CHEMBL5148065) | ||
| IC50 | 180±n/a nM | ||
| Citation |  Arai, Y; Kiyotsuka, Y; Nagamochi, M; Oyama, K; Izumi, M Lead optimization of pyrido[2,3-d][1]benzazepin-6-one derivatives leading to the discovery of a potent, selective, and orally available human parathyroid hormone receptor 1 (hPTHR1) antagonist (DS69910557). Bioorg Med Chem64:0 (2022) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Parathyroid hormone/parathyroid hormone-related peptide receptor | |||
| Name: | Parathyroid hormone/parathyroid hormone-related peptide receptor | ||
| Synonyms: | PTH/PTHr receptor | PTH/PTHrP type I receptor | PTH1 receptor | PTH1R | PTH1R_HUMAN | PTHR | PTHR1 | Parathyroid hormone 1 receptor | Parathyroid hormone receptor | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 66370.95 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | PARATHYROID HT1 0 HUMAN::Q03431 | ||
| Residue: | 593 | ||
| Sequence: |
| ||
| BDBM50600482 | |||
| n/a | |||
| Name | BDBM50600482 | ||
| Synonyms: | CHEMBL5199789 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C33H36Cl2N4O4 | ||
| Mol. Mass. | 623.569 | ||
| SMILES | COC1(CN[C@H]2CC[C@@H](CC2)C(O)=O)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2-c2cc(Cl)cnc2C(C)(C)C1=O |r,wU:5.4,wD:8.11,(-4.93,7.56,;-3.44,7.96,;-2.36,6.87,;-1.96,8.36,;-.47,8.76,;.62,7.67,;2.11,8.07,;3.2,6.98,;2.8,5.49,;1.31,5.09,;.22,6.18,;3.89,4.4,;3.49,2.91,;5.37,4.8,;-1,6.08,;-1.77,4.75,;-3.13,5.53,;-1.37,3.26,;-2.46,2.17,;-2.06,.69,;-.58,.29,;.52,1.38,;.11,2.87,;-.18,-1.2,;-1.38,-2.16,;-2.71,-1.39,;-4.04,-2.16,;-5.37,-1.39,;-4.04,-3.71,;-2.7,-4.47,;-1.38,-3.7,;-.16,-4.66,;-.6,-6.15,;.46,-7.27,;.06,-8.76,;1.96,-6.91,;2.4,-5.43,;1.35,-4.31,;2.01,-2.92,;3.5,-3.32,;3.1,-1.83,;1.32,-1.53,;2.41,-.44,)| | ||
| Structure | 
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