Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM50064874
Substrate
n/a
Meas. Tech.
ChEMBL_1465191 (CHEMBL3406075)
IC50
2800±n/a nM
Citation
 Young, WB; Barbosa, J; Blomgren, P; Bremer, MC; Crawford, JJ; Dambach, D; Gallion, S; Hymowitz, SG; Kropf, JE; Lee, SH; Liu, L; Lubach, JW; Macaluso, J; Maciejewski, P; Maurer, B; Mitchell, SA; Ortwine, DF; Di Paolo, J; Reif, K; Scheerens, H; Schmitt, A; Sowell, CG; Wang, X; Wong, H; Xiong, JM; Xu, J; Zhao, Z; Currie, KS Potent and selective Bruton's tyrosine kinase inhibitors: discovery of GDC-0834. Bioorg Med Chem Lett 25:1333-7 (2015) [PubMed]  Article 
Target
Name:
Tyrosine-protein kinase BTK
Synonyms:
ATK | Agammaglobulinemia tyrosine kinase | B-cell progenitor kinase | BTK_MOUSE | Bpk | Bruton tyrosine kinase | Btk | Kinase EMB
Type:
PROTEIN
Mol. Mass.:
76447.19
Organism:
Mus musculus
Description:
ChEMBL_108319
Residue:
659
Sequence:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVIPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPTAAPISTTELKKVVALYDYMPMNANDLQLRKGEEYFILEESNLPWWRARDKNGQEGYIPSNYITEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGEPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSKQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIREGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASERVYTIMYSCWHEKADERPSFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM50064874
Synonyms:
CHEMBL3401270
Type:
Small organic molecule
Emp. Form.:
C33H35N5O5
Mol. Mass.:
581.6615
SMILES:
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)O)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Structure:
Search PDB for entries with ligand similarity: