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Target
Tyrosine-protein kinase BTK
Ligand
BDBM202141
Substrate
n/a
Meas. Tech.
ChEMBL_1743735 (CHEMBL4178245)
IC50
8.4±n/a nM
Citation
 Thakkar, M; Bhuniya, D; Kaduskar, R; Mengawade, T; Naik, K; Salunkhe, V; Bhalerao, A; Kurhade, S; Mavinahalli, J; Jain, V; Petla, R; Avaragolla, S; Ray, S; Rouduri, S; Dhanave, A; De, S; Pathade, V; Tambe, A; Raje, AA; Madgula, V; Joshi, S; Nadeem, A; Bala, M; Umrani, D; Hariharan, N; Kulkarni, B; Mookhtiar, KA Discovery and evaluation of 1H-pyrrolo[2,3-b]pyridine based selective and reversible small molecule BTK inhibitors for the treatment of rheumatoid arthritis. Bioorg Med Chem Lett 27:1867-1873 (2017) [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:
BDBM202141
Synonyms:
US9233983, I-12
Type:
Small organic molecule
Emp. Form.:
C38H39FN6O3
Mol. Mass.:
646.7531
SMILES:
CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
Structure:
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