Ki Summary

Reaction Details

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Target

Tyrosine-protein kinase BTK [386-659]

Ligand

BDBM467857

Substrate/Competitor

n/a

Meas. Tech.

Kinase Lanthascreen Binding Assay

IC50

50.1±n/a nM

Citation

Arora, N; Bacani, GM; Barbay, JK; Bembenek, SD; Cai, M; Chen, W; Deckhut, CP; Edwards, JP; Ghosh, B; Hao, B; Kreutter, KD; Li, G; Tichenor, MS; Venable, JD; Wei, J; Wiener, JJ; Wu, Y; Zhu, Y; Zhang, F; Zhang, Z; Xiao, K Inhibitors of Bruton's tyrosine kinase and methods of their use US Patent US10822348 Publication Date 11/3/2020

More Info.:

Get all data from this article, Assay Method

Tyrosine-protein kinase BTK [386-659]

Name:

Tyrosine-protein kinase BTK [386-659]

Synonyms:

AGMX1 | ATK | BPK | BTK | BTK_HUMAN | Tyrosine-protein kinase BTK (386-659)

Type:

Enzyme Catalytic Domain

Mol. Mass.:

31815.18

Organism:

Homo sapiens (Human)

Description:

aa 386-659

Residue:

274

Sequence:

STAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEE
AKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDV
CEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSP
PEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEK
VYTIMYSCWHEKADERPTFKILLSNILDVMDEES

BDBM467857

n/a

Name

BDBM467857

Synonyms:

(S)-N-(1-Acryloylpyrrolidin-3-yl)-5-(*S)-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 518 | US10822348, Example 864

Type

Small organic molecule

Emp. Form.

C29H25N5O4S

Mol. Mass.

539.605

SMILES

Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-2.22,5.29,;-3.55,4.52,;-4.89,5.29,;-6.22,4.52,;-7.56,5.29,;-8.89,4.52,;-10.22,5.29,;-11.56,4.52,;-11.56,2.98,;-10.22,2.21,;-8.89,2.98,;-6.22,2.98,;-4.89,2.21,;-3.55,2.98,;-2.22,2.21,;-2.22,.67,;-3.55,-.1,;-3.55,-1.64,;-2.22,-2.41,;-.89,-1.64,;.6,-2.04,;1.44,-.74,;2.98,-.74,;3.75,.59,;3.75,-2.08,;5.29,-2.08,;6.19,-.83,;7.66,-1.31,;7.66,-2.85,;6.19,-3.32,;8.9,-3.75,;8.9,-5.29,;10.31,-3.13,;11.56,-4.03,;.45,.67,;.45,2.21,;-.89,2.98,;-.89,4.52,;-.89,-.1,)|

Structure