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Target
Tumor necrosis factor
Ligand
BDBM50575331
Substrate
n/a
Meas. Tech.
ChEMBL_2124958 (CHEMBL4834191)
IC50
695±n/a nM
Citation
 Khedkar, NR; Irlapatti, NR; Dadke, D; Kanoje, V; Shaikh, Z; Karche, V; Shinde, V; Deshmukh, G; Patil, A; Jachak, S; Phukan, S; Kizhakinagath, PA; Gholve, M; Bhankhede, T; Daler, J; Nemade, HN; Budhe, S; Pareek, H; Yeshodharan, R; Gupta, R; Kalia, A; Pandey, D; Wagh, A; Kumar, S; Patil, V; Modi, D; Sharma, N; Ahirrao, P; Mehta, M; Kumar, H; Nigade, P; Tamane, K; Mallurwar, S; Kuldharan, S; Pawar, S; Vishwase, G; Bokan, S; Singh, M; Naik, K; Ingawale, S; Shankar, R; Kamalakannan, P; Venugopal, S; George, SK; Padiya, KJ; Nemmani, KVS; Gundu, J; Bhonde, M; Narasimham, L; Sindkhedkar, M; Shah, C; Sinha, N; Sharma, S; Bakhle, D; Kamboj, RK; Palle, VP Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor: 2,6-Difluoro- J Med Chem 64:17004-17030 (2021) [PubMed]  Article
Target
Name:
Tumor necrosis factor
Synonyms:
Cachectin | TNF | TNF-a | TNF-alpha | TNFA | TNFA_HUMAN | TNFSF2 | Tumor necrosis factor (TNF-alpha) | Tumor necrosis factor (TNFa) | Tumor necrosis factor alpha (TNFα) | Tumor necrosis factor ligand superfamily member 2 | Tumor necrosis factor, membrane form | Tumor necrosis factor, soluble form | tumor necrosis factor alpha
Type:
Enzyme
Mol. Mass.:
25645.11
Organism:
Homo sapiens (Human)
Description:
P01375
Residue:
233
Sequence:
MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCLLHFGVIGPQREEFPRDLSLISPLAQAVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
  
Inhibitor
Name:
BDBM50575331
Synonyms:
CHEMBL4868242
Type:
Small organic molecule
Emp. Form.:
C23H17F2N3O3
Mol. Mass.:
421.3962
SMILES:
Cc1c(cccc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1)-c1nn(C)c(=O)o1
Structure:
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