Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM281751
Substrate
n/a
Meas. Tech.
Human Recombinant Btk Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.130±n/a nM
Comments
extracted
Citation
 Watterson, SH; Tebben, AJ; Ahmad, S Carbazole and tetrahydrocarbazole compounds useful as inhibitors of BTK US Patent  US10023534 Publication Date 7/17/2018 
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:
BDBM281751
Synonyms:
5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-6-fluoro-2-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Single Homochiral Diastereomers | US10023534, Example 10 | US10023534, Example 11
Type:
Small organic molecule
Emp. Form.:
C26H23F4N3O2
Mol. Mass.:
485.4733
SMILES:
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCC(Cc3[nH]c12)C(F)(F)F |(1.75,5.78,;.42,5,;-.92,5.77,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;-2.38,.68,;-3.01,-.73,;-4.54,-.89,;-5.44,.36,;-4.82,1.76,;-3.29,1.92,;-2.38,3.17,;-.92,2.69,;-6.98,.2,;-8.51,.04,;-7.14,1.73,;-6.81,-1.34,)|
Structure:
Search PDB for entries with ligand similarity: