Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM50568218
Substrate
n/a
Meas. Tech.
ChEMBL_2104831 (CHEMBL4813334)
IC50
4760±n/a nM
Citation
 Guilinger, JP; Archna, A; Augustin, M; Bergmann, A; Centrella, PA; Clark, MA; Cuozzo, JW; Däther, M; Guié, MA; Habeshian, S; Kiefersauer, R; Krapp, S; Lammens, A; Lercher, L; Liu, J; Liu, Y; Maskos, K; Mrosek, M; Pflügler, K; Siegert, M; Thomson, HA; Tian, X; Zhang, Y; Konz Makino, DL; Keefe, AD Novel irreversible covalent BTK inhibitors discovered using DNA-encoded chemistry. Bioorg Med Chem 42:0 (2021) [PubMed]  Article 
Target
Name:
Tyrosine-protein kinase BTK
Synonyms:
AGMX1 | ATK | Agammaglobulinaemia tyrosine kinase | Agammaglobulinemia tyrosine kinase | B cell progenitor kinase | B-cell progenitor kinase | BPK | BTK | BTK_HUMAN | Bruton tyrosine kinase | Tyrosine Kinase BTK | Tyrosine-protein kinase (BTK) | Tyrosine-protein kinase BTK (BTK)
Type:
Enzyme
Mol. Mass.:
76289.95
Organism:
Homo sapiens (Human)
Description:
Q06187
Residue:
659
Sequence:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM50568218
Synonyms:
CHEMBL4859382
Type:
Small organic molecule
Emp. Form.:
C23H28N4O3
Mol. Mass.:
408.4934
SMILES:
CNC(=O)[C@H]1Cc2c(CN1C(=O)C[C@H]1CCCN(C1)C(=O)C=C)[nH]c1ccccc21 |r|
Structure:
Search PDB for entries with ligand similarity: