| 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 | BDBM50091334 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2028153 (CHEMBL4682311) |
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| IC50 | 92±n/a nM |
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| Citation |  Qin, M; Cao, Q; Wu, X; Liu, C; Zheng, S; Xie, H; Tian, Y; Xie, J; Zhao, Y; Hou, Y; Zhang, X; Xu, B; Zhang, H; Wang, X Discovery of the programmed cell death-1/programmed cell death-ligand 1 interaction inhibitors bearing an indoline scaffold. Eur J Med Chem186:0 (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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| BDBM50091334 |
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| n/a |
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| Name | BDBM50091334 |
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| Synonyms: | CHEMBL3582252 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H33NO5 |
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| Mol. Mass. | 475.576 |
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| SMILES | COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN1CCCC[C@H]1C(O)=O |r| |
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| Structure | 
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