Reaction Details | |||
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Target | Parathyroid hormone/parathyroid hormone-related peptide receptor | ||
Ligand | BDBM50600483 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2234293 (CHEMBL5148065) | ||
IC50 | 80±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: |
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BDBM50600483 | |||
n/a | |||
Name | BDBM50600483 | ||
Synonyms: | CHEMBL5201424 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H33Cl2FN4O3 | ||
Mol. Mass. | 611.534 | ||
SMILES | CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(F)(CN[C@H]3CC[C@@H](CC3)C(O)=O)C2)C1=O |r,wU:30.32,wD:33.39,(3.5,-3.32,;2.01,-2.92,;3.1,-1.83,;1.35,-4.31,;2.4,-5.43,;1.96,-6.91,;.46,-7.27,;.06,-8.76,;-.6,-6.15,;-.16,-4.66,;-1.38,-3.7,;-2.7,-4.47,;-4.04,-3.71,;-4.04,-2.16,;-5.37,-1.39,;-2.71,-1.39,;-1.38,-2.16,;-.18,-1.2,;-.58,.29,;-2.06,.69,;-2.46,2.17,;-1.37,3.26,;.11,2.87,;.52,1.38,;-1.77,4.75,;-1,6.08,;-2.36,6.87,;-3.69,7.64,;-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,;-3.13,5.53,;1.32,-1.53,;2.41,-.44,)| | ||
Structure |