Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM202126
Substrate
n/a
Meas. Tech.
Recombinant Human BTK Inhibition Assay
IC50
3.8±n/a nM
Citation
 Thakkar, M; Koul, S; Bhuniya, D; Mookhtiar, K; Kurhade, S; Munot, Y; Mengawade, T; Kulkarni, BA Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof US Patent  US9233983 Publication Date 1/12/2016 
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:
BDBM202126
Synonyms:
US9233983, F-3
Type:
Small organic molecule
Emp. Form.:
C36H37N5O4
Mol. Mass.:
603.7101
SMILES:
CC1(O)CCC(CC1)n1cc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO |(-7.46,-7.46,;-7.06,-5.97,;-5.97,-7.06,;-8.55,-5.57,;-8.95,-4.09,;-7.86,-3,;-6.37,-3.4,;-5.97,-4.88,;-8.26,-1.51,;-7.35,-.26,;-8.26,.98,;-9.72,.51,;-9.72,-1.03,;-7.49,2.32,;-5.96,2.48,;-5.64,3.98,;-4.3,4.75,;-4.3,6.29,;-5.64,7.06,;-6.97,6.29,;-6.97,4.75,;-8.11,3.72,;-2.97,3.98,;-2.97,2.44,;-1.64,1.67,;-.3,2.44,;-.3,3.98,;1.03,4.75,;.69,6.26,;1.65,7.46,;3.19,7.46,;4.15,6.26,;5.62,6.71,;6.75,5.66,;6.41,4.16,;4.94,3.71,;3.81,4.75,;2.42,4.09,;2.42,2.55,;8.22,6.12,;9.72,5.77,;9.27,7.24,;-1.64,4.75,;-1.64,6.29,;-2.97,7.06,)|
Structure:
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