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Target
Tumor necrosis factor
Ligand
BDBM50566086
Substrate
n/a
Meas. Tech.
ChEMBL_2094435 (CHEMBL4775698)
IC50
146±n/a nM
Citation
 Dietrich, JD; Longenecker, KL; Wilson, NS; Goess, C; Panchal, SC; Swann, SL; Petros, AM; Hobson, AD; Ihle, D; Song, D; Richardson, P; Comess, KM; Cox, PB; Dombrowski, A; Sarris, K; Donnelly-Roberts, DL; Duignan, DB; Gomtsyan, A; Jung, P; Krueger, AC; Mathieu, S; McClure, A; Stoll, VS; Wetter, J; Mankovich, JA; Hajduk, PJ; Vasudevan, A; Stoffel, RH; Sun, C Development of Orally Efficacious Allosteric Inhibitors of TNF? via Fragment-Based Drug Design. J Med Chem 64:417-429 (2021) [PubMed]  Article 
Target
Name:
Tumor necrosis factor
Synonyms:
C-domain 1 | C-domain 2 | Cachectin | ICD1 | ICD2 | Intracellular domain 1 | Intracellular domain 2 | N-terminal fragment | NTF | TNF-a | TNF-alpha | TNFA_MOUSE | Tnf | Tnfa | Tnfsf2 | Tumor necrosis factor | Tumor necrosis factor ligand superfamily member 2 | Tumor necrosis factor, membrane form | Tumor necrosis factor, soluble form
Type:
PROTEIN
Mol. Mass.:
25889.86
Organism:
Mus musculus
Description:
ChEMBL_10774
Residue:
235
Sequence:
MSTESMIRDVELAEEALPQKMGGFQNSRRCLCLSLFSFLLVAGATTLFCLLNFGVIGPQRDEKFPNGLPLISSMAQTLTLRSSSQNSSDKPVAHVVANHQVEEQLEWLSQRANALLANGMDLKDNQLVVPADGLYLVYSQVLFKGQGCPDYVLLTHTVSRFAISYQEKVNLLSAVKSPCPKDTPEGAELKPWYEPIYLGGVFQLEKGDQLSAEVNLPKYLDFAESGQVYFGVIAL
  
Inhibitor
Name:
BDBM50566086
Synonyms:
CHEMBL4793441
Type:
Small organic molecule
Emp. Form.:
C29H31F2N5O4
Mol. Mass.:
551.5843
SMILES:
C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3ccccc3OC(F)F)c2c1 |r|
Structure:
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