Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM202197
Substrate
n/a
Meas. Tech.
ChEMBL_1743735 (CHEMBL4178245)
IC50
42±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:
BDBM202197
Synonyms:
US9233983, P-12
Type:
Small organic molecule
Emp. Form.:
C34H33FN4O4
Mol. Mass.:
580.6486
SMILES:
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
Structure:
Search PDB for entries with ligand similarity: