Reaction Details Report a problem with these data
Target
Toll-like receptor 4
Ligand
BDBM50250417
Substrate
n/a
Meas. Tech.
ChEBML_1681667
EC50
2450±n/a nM
Citation
 Chan, M; Kakitsubata, Y; Hayashi, T; Ahmadi, A; Yao, S; Shukla, NM; Oyama, SY; Baba, A; Nguyen, B; Corr, M; Suda, Y; Carson, DA; Cottam, HB; Wakao, M Structure-Activity Relationship Studies of Pyrimido[5,4-b]indoles as Selective Toll-Like Receptor 4 Ligands. J Med Chem 60:9142-9161 (2017) [PubMed]  Article 
Target
Name:
Toll-like receptor 4
Synonyms:
CD_antigen=CD284 | Lps | TLR4_MOUSE | Tlr4 | Toll-like receptor 4 | Toll-like receptor 4/Ly96 | Toll-like receptor 4/MD-2/CD14
Type:
PROTEIN
Mol. Mass.:
95518.84
Organism:
Mus musculus
Description:
ChEMBL_1496719
Residue:
835
Sequence:
MMPPWLLARTLIMALFFSCLTPGSLNPCIEVVPNITYQCMDQKLSKVPDDIPSSTKNIDLSFNPLKILKSYSFSNFSELQWLDLSRCEIETIEDKAWHGLHHLSNLILTGNPIQSFSPGSFSGLTSLENLVAVETKLASLESFPIGQLITLKKLNVAHNFIHSCKLPAYFSNLTNLVHVDLSYNYIQTITVNDLQFLRENPQVNLSLDMSLNPIDFIQDQAFQGIKLHELTLRGNFNSSNIMKTCLQNLAGLHVHRLILGEFKDERNLEIFEPSIMEGLCDVTIDEFRLTYTNDFSDDIVKFHCLANVSAMSLAGVSIKYLEDVPKHFKWQSLSIIRCQLKQFPTLDLPFLKSLTLTMNKGSISFKKVALPSLSYLDLSRNALSFSGCCSYSDLGTNSLRHLDLSFNGAIIMSANFMGLEELQHLDFQHSTLKRVTEFSAFLSLEKLLYLDISYTNTKIDFDGIFLGLTSLNTLKMAGNSFKDNTLSNVFANTTNLTFLDLSKCQLEQISWGVFDTLHRLQLLNMSHNNLLFLDSSHYNQLYSLSTLDCSFNRIETSKGILQHFPKSLAFFNLTNNSVACICEHQKFLQWVKEQKQFLVNVEQMTCATPVEMNTSLVLDFNNSTCYMYKTIISVSVVSVIVVSTVAFLIYHFYFHLILIAGCKKYSRGESIYDAFVIYSSQNEDWVRNELVKNLEEGVPRFHLCLHYRDFIPGVAIAANIIQEGFHKSRKVIVVVSRHFIQSRWCIFEYEIAQTWQFLSSRSGIIFIVLEKVEKSLLRQQVELYRLLSRNTYLEWEDNPLGRHIFWRRLKNALLDGKASNPEQTAEEEQETATWT
  
Inhibitor
Name:
BDBM50250417
Synonyms:
CHEMBL4101433
Type:
Small organic molecule
Emp. Form.:
C25H25BrN4O2S
Mol. Mass.:
525.461
SMILES:
Cn1c2ccc(Br)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12
Structure:
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