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Target
Tyrosine-protein kinase BTK
Ligand
BDBM230091
Substrate
n/a
Meas. Tech.
ChEMBL_1616836 (CHEMBL3858905)
IC50
1.6±n/a nM
Citation
 Watterson, SH; De Lucca, GV; Shi, Q; Langevine, CM; Liu, Q; Batt, DG; Beaudoin Bertrand, M; Gong, H; Dai, J; Yip, S; Li, P; Sun, D; Wu, DR; Wang, C; Zhang, Y; Traeger, SC; Pattoli, MA; Skala, S; Cheng, L; Obermeier, MT; Vickery, R; Discenza, LN; D'Arienzo, CJ; Zhang, Y; Heimrich, E; Gillooly, KM; Taylor, TL; Pulicicchio, C; McIntyre, KW; Galella, MA; Tebben, AJ; Muckelbauer, JK; Chang, C; Rampulla, R; Mathur, A; Salter-Cid, L; Barrish, JC; Carter, PH; Fura, A; Burke, JR; Tino, JA Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locke J Med Chem 59:9173-9200 (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:
BDBM230091
Synonyms:
US10106559, Example 14 | US10435415, Example 14 | US9334290, 13 | US9334290, 14 | US9850258, Example 14
Type:
Small organic molecule
Emp. Form.:
C31H24ClFN4O4
Mol. Mass.:
570.998
SMILES:
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.75,,;1.42,-.77,;.08,,;-1.25,-.77,;-1.25,-2.31,;.08,-3.08,;1.42,-2.31,;2.75,-3.08,;2.75,-4.62,;1.42,-5.39,;4.09,-5.39,;5.42,-4.62,;6.75,-5.39,;6.75,-6.93,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;4.09,-2.31,;4.09,-.77,;.08,1.54,;1.42,2.31,;2.75,1.54,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,)|
Structure:
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