Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM316845
Substrate
n/a
Meas. Tech.
TR-FRET (Time Resolved FRET) Assay
IC50
24.0±n/a nM
Citation
 Chin, E; Weikert, RJ; Yun, W; Zhang, J Inhibitors of bruton's tyrosine kinase US Patent  US9617260 Publication Date 4/11/2017 
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:
BDBM316845
Synonyms:
US9617260, Compound 6 | propan-2-yl N- [3-[3- [methyl(prop- 2- enoyl)amino] phenyl]-1H- pyrrolo[2,3- b]pyridin-5- yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C21H22N4O3
Mol. Mass.:
378.4244
SMILES:
CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(c3)N(C)C(=O)C=C)c2c1
Structure:
Search PDB for entries with ligand similarity: