Reaction Details | |||
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Target | Programmed cell death 1 ligand/protein 1 | ||
Ligand | BDBM474566 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Homogenous Time-Resolved Fluorescence (HTRF) binding assay | ||
IC50 | 0.59±n/a nM | ||
Citation | Yeung, K; Grant-Young, KA; Sun, L; Langley, DR; St. Laurent, DR; Scola, PM Compounds useful as immunomodulators US Patent US10882844 Publication Date 1/5/2021 | ||
More Info.: | Get all data from this article, Assay Method | ||
Programmed cell death 1 ligand/protein 1 | |||
Name: | Programmed cell death 1 ligand/protein 1 | ||
Synonyms: | PD-1/PD-L1 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | ||
Type: | Protein | ||
Mol. Mass.: | n/a | ||
Description: | n/a | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Programmed cell death protein 1 | ||
Synonyms: | CD_antigen=CD279 | PD1 | PDCD1 | PDCD1_HUMAN | Programmed cell death protein 1 | Protein PD-1 | hPD-1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 31650.07 | ||
Organism: | Homo sapiens | ||
Description: | ChEMBL_108437 | ||
Residue: | 288 | ||
Sequence: |
| ||
Component 2 | |||
Name: | Programmed cell death 1 ligand 1 | ||
Synonyms: | B7 homolog 1 | B7-H1 | B7H1 | B7H1 | CD274 | CD_antigen=CD274 | PD-L1 | PD1L1_HUMAN | PDCD1 ligand 1 | PDCD1L1 | PDCD1LG1 | PDL1 | Programmed cell death 1 ligand 1 | Programmed death ligand 1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 33278.49 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_109807 | ||
Residue: | 290 | ||
Sequence: |
| ||
BDBM474566 | |||
n/a | |||
Name | BDBM474566 | ||
Synonyms: | (S)-1-(2-(4-carboxycyclohexyl)benzo[d]oxazol-5-yl)-2-methylbenzyl)oxy)-5-chloro-2-((5-cyanopyridin-3-yl)methoxy)benzyl)piperidine-2-carboxylic Acid | US10882844, Example 1025 | ||
Type | Small organic molecule | ||
Emp. Form. | C42H41ClN4O7 | ||
Mol. Mass. | 749.251 | ||
SMILES | Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCC(CC1)C(O)=O |r,wD:25.27,(.65,-2.06,;.65,-3.6,;1.98,-4.37,;3.32,-3.6,;4.65,-4.37,;5.98,-3.6,;5.98,-2.06,;7.32,-1.29,;7.32,.25,;5.98,1.02,;5.98,2.56,;4.65,3.33,;4.65,4.87,;5.98,5.64,;7.37,4.89,;7.32,3.33,;8.7,5.66,;10.03,6.43,;8.65,-2.06,;9.98,-1.29,;11.32,-2.06,;11.32,-3.6,;12.65,-4.37,;13.99,-3.6,;13.99,-2.06,;12.65,-1.29,;12.65,.25,;11.32,1.02,;13.99,1.02,;8.65,-3.6,;7.32,-4.37,;7.32,-5.91,;1.98,-5.91,;.65,-6.68,;-.68,-5.91,;-.68,-4.37,;-2.02,-3.6,;-2.02,-2.06,;-3.35,-1.29,;-4.69,-2.06,;-6.15,-1.59,;-7.06,-2.83,;-6.15,-4.08,;-4.69,-3.6,;-3.35,-4.37,;-8.6,-2.83,;-9.37,-1.5,;-10.91,-1.5,;-11.68,-2.83,;-10.91,-4.17,;-9.37,-4.17,;-13.22,-2.83,;-13.99,-1.5,;-13.99,-4.17,)| | ||
Structure |