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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50194721
Substrate
n/a
Meas. Tech.
ChEMBL_1616836 (CHEMBL3858905)
IC50
2.80±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:
BDBM50194721
Synonyms:
CHEMBL3908310 | US9714234, 4
Type:
Small organic molecule
Emp. Form.:
C32H27FN4O4
Mol. Mass.:
550.5796
SMILES:
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(15.71,-28.16,;14.37,-28.91,;13.05,-28.13,;11.71,-28.87,;11.68,-30.41,;13.01,-31.2,;14.35,-30.44,;15.68,-31.22,;15.66,-32.76,;14.31,-33.51,;16.97,-33.55,;16.95,-35.09,;18.31,-32.8,;19.63,-33.58,;19.61,-35.12,;20.98,-32.83,;20.99,-31.29,;19.67,-30.51,;18.34,-31.26,;17.01,-30.47,;17.03,-28.93,;13.08,-26.59,;14.43,-25.84,;14.45,-24.29,;13.12,-23.51,;13.14,-21.97,;14.48,-21.21,;11.82,-21.18,;11.78,-24.26,;10.31,-23.75,;9.38,-24.99,;7.85,-25.13,;7.2,-26.52,;8.07,-27.79,;9.61,-27.66,;10.27,-26.26,;11.75,-25.8,;5.66,-26.64,;4.26,-25.99,;5.53,-25.1,;5.01,-28.04,)|
Structure:
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