| Reaction Details |
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 | Report a problem with these data |
| Target | Programmed cell death 1 ligand/protein 1 |
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| Ligand | BDBM153268 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1988149 (CHEMBL4621696) |
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| IC50 | >100000±n/a nM |
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| Citation |  Cheng, B; Ren, Y; Niu, X; Wang, W; Wang, S; Tu, Y; Liu, S; Wang, J; Yang, D; Liao, G; Chen, J Discovery of Novel Resorcinol Dibenzyl Ethers Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction as Potential Anticancer Agents. J Med Chem63:8338-8358 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Programmed cell death 1 ligand/protein 1 |
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| Name: | Programmed cell death 1 ligand/protein 1 |
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| Synonyms: | PD-1/PD-L1 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Programmed cell death protein 1 |
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| Synonyms: | CD_antigen=CD279 | PD1 | PDCD1 | PDCD1_HUMAN | Programmed cell death protein 1 | Protein PD-1 | hPD-1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 31650.07 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_108437 |
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| Residue: | 288 |
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| Sequence: | MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTS
ESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGT
YLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGS
LVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVP
CVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL
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| Component 2 |
| Name: | Programmed cell death 1 ligand 1 |
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| 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 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 33278.49 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_109807 |
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| Residue: | 290 |
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| Sequence: | MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEME
DKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGG
ADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTT
TTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTH
LVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET
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| BDBM153268 |
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| n/a |
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| Name | BDBM153268 |
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| Synonyms: | 7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one | Apiin (11) |
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| Type | Small organic molecule |
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| Emp. Form. | C26H28O14 |
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| Mol. Mass. | 564.4921 |
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| SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O |
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| Structure | 
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