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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50201722
Substrate
n/a
Meas. Tech.
ChEMBL_1623333 (CHEMBL3865685)
IC50
1970±n/a nM
Citation
 Pujala, B; Agarwal, AK; Middya, S; Banerjee, M; Surya, A; Nayak, AK; Gupta, A; Khare, S; Guguloth, R; Randive, NA; Shinde, BU; Thakur, A; Patel, DI; Raja, M; Green, MJ; Alfaro, J; Avila, P; Pérez de Arce, F; Almirez, RG; Kanno, S; Bernales, S; Hung, DT; Chakravarty, S; McCullagh, E; Quinn, KP; Rai, R; Pham, SM Discovery of Pyrazolopyrimidine Derivatives as Novel Dual Inhibitors of BTK and PI3Kd. ACS Med Chem Lett 7:1161-1166 (2016) [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:
BDBM50201722
Synonyms:
CHEMBL3977335
Type:
Small organic molecule
Emp. Form.:
C21H18FN5O
Mol. Mass.:
375.3989
SMILES:
COc1cc(F)cc(c1)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Structure:
Search PDB for entries with ligand similarity: