Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM50463565
Substrate
n/a
Meas. Tech.
ChEMBL_1778704 (CHEMBL4235696)
IC50
2.4±n/a nM
Citation
Liu, Q; Batt, DG; Chaudhry, C; Lippy, JS; Pattoli, MA; Surti, N; Xu, S; Carter, PH; Burke, JR; Tino, JA Conversion of carbazole carboxamide based reversible inhibitors of Bruton's tyrosine kinase (BTK) into potent, selective irreversible inhibitors in the carbazole, tetrahydrocarbazole, and a new 2,3-dimethylindole series. Bioorg Med Chem Lett 28:3080-3084 (2018) [PubMed] Article
More Info.:
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:
BDBM50463565
Synonyms:
CHEMBL4251151
Type:
Small organic molecule
Emp. Form.:
C28H29N3O3
Mol. Mass.:
455.5482
SMILES:
CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(80.87,-12.15,;79.54,-11.38,;79.54,-9.84,;78.21,-12.14,;76.88,-11.36,;76.87,-9.82,;75.55,-12.14,;74.22,-11.37,;72.88,-12.14,;71.54,-11.37,;71.55,-9.83,;72.87,-9.06,;74.21,-9.82,;75.54,-9.05,;72.87,-7.52,;74.2,-6.75,;74.2,-5.21,;72.86,-4.44,;72.85,-2.9,;74.18,-2.12,;71.51,-2.14,;71.52,-5.23,;70.06,-4.77,;69.18,-6.01,;67.66,-6.18,;67.05,-7.58,;67.96,-8.81,;69.47,-8.64,;70.08,-7.25,;71.53,-6.76,;65.52,-7.74,;64.18,-6.97,;65.52,-6.2,;64.9,-9.16,)|