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Target
Tyrosine-protein kinase BTK
Ligand
BDBM230106
Substrate
n/a
Meas. Tech.
ChEMBL_2019227 (CHEMBL4672805)
IC50
64.0±n/a nM
Citation
 Srivastava, AS; Ko, S; Watterson, SH; Pattoli, MA; Skala, S; Cheng, L; Obermeier, MT; Vickery, R; Discenza, LN; D'Arienzo, CJ; Gillooly, KM; Taylor, TL; Pulicicchio, C; McIntyre, KW; Yip, S; Li, P; Sun, D; Wu, DR; Dai, J; Wang, C; Zhang, Y; Wang, B; Pawluczyk, J; Kempson, J; Zhao, R; Hou, X; Rampulla, R; Mathur, A; Galella, MA; Salter-Cid, L; Barrish, JC; Carter, PH; Fura, A; Burke, JR; Tino, JA Driving Potency with Rotationally Stable Atropisomers: Discovery of Pyridopyrimidinedione-Carbazole Inhibitors of BTK. ACS Med Chem Lett 11:2195-2203 (2020) [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:
BDBM230106
Synonyms:
US10106559, Example 31 | US10435415, Example 31 | US9334290, 30 | US9850258, Example 31
Type:
Small organic molecule
Emp. Form.:
C31H24ClFN4O4
Mol. Mass.:
570.998
SMILES:
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,,;1.7,-.77,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-7.03,-.03,;-8.37,.74,;-7.8,2.85,)|
Structure:
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