Reaction Details Report a problem with these data
Target
Tumor necrosis factor receptor superfamily member 9
Ligand
BDBM50601007
Substrate
n/a
Meas. Tech.
ChEMBL_2235689 (CHEMBL5149461)
Kd
2370±n/a nM
Citation
 Upadhyaya, P; Kristensson, J; Lahdenranta, J; Repash, E; Ma, J; Kublin, J; Mudd, GE; Luus, L; Jeffrey, P; Hurov, K; McDonnell, K; Keen, N Discovery and Optimization of a Synthetic Class of Nectin-4-Targeted CD137 Agonists for Immuno-oncology. J Med Chem 65:9858-9872 (2022) [PubMed] 
Target
Name:
Tumor necrosis factor receptor superfamily member 9
Synonyms:
4-1BB ligand receptor | CD137 | CD_antigen=CD137 | CDw137 | ILA | T-cell antigen 4-1BB homolog | T-cell antigen ILA | TNFRSF9 | TNR9_HUMAN
Type:
PROTEIN
Mol. Mass.:
27903.71
Organism:
Homo sapiens
Description:
ChEMBL_114818
Residue:
255
Sequence:
MGNSCYNIVATLLLVLNFERTRSLQDPCSNCPAGTFCDNNRNQICSPCPPNSFSSAGGQRTCDICRQCKGVFRTRKECSSTSNAECDCTPGFHCLGAGCSMCEQDCKQGQELTKKGCKDCCFGTFNDQKRGICRPWTNCSLDGKSVLVNGTKERDVVCGPSPADLSPGASSVTPPAPAREPGHSPQIISFFLALTSTALLFLLFFLTLRFSVVKRGRKKLLYIFKQPFMRPVQTTQEEDGCSCRFPEEEEGGCEL
  
Inhibitor
Name:
BDBM50601007
Synonyms:
CHEMBL5176354
Type:
Small organic molecule
Emp. Form.:
C213H295N47O57S7
Mol. Mass.:
4650.357
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1cccc4ccccc14)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N1C[C@H](O)C[C@@]1([H])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(N)=O)NC(=O)CCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCCCC[C@H]2NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CSCCC(=O)N3CN4CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CSCCC4=O)C(N)=O)NC(C)=O)nn1 |r|
Structure:
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