Reaction Details Report a problem with these data
Target
Receptor-interacting serine/threonine-protein kinase 2
Ligand
BDBM50467986
Substrate
n/a
Meas. Tech.
ChEMBL_1797481 (CHEMBL4269598)
IC50
2.5±n/a nM
Citation
 Haile, PA; Casillas, LN; Bury, MJ; Mehlmann, JF; Singhaus, R; Charnley, AK; Hughes, TV; DeMartino, MP; Wang, GZ; Romano, JJ; Dong, X; Plotnikov, NV; Lakdawala, AS; Convery, MA; Votta, BJ; Lipshutz, DB; Desai, BM; Swift, B; Capriotti, CA; Berger, SB; Mahajan, MK; Reilly, MA; Rivera, EJ; Sun, HH; Nagilla, R; LePage, C; Ouellette, MT; Totoritis, RD; Donovan, BT; Brown, BS; Chaudhary, KW; Gough, PJ; Bertin, J; Marquis, RW Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel. ACS Med Chem Lett 9:1039-1044 (2018) [PubMed]  Article 
Target
Name:
Receptor-interacting serine/threonine-protein kinase 2
Synonyms:
CARDIAK | RICK | RIP2 | RIPK2 | RIPK2_HUMAN | Serine/threonine-protein kinase RIPK2 | Tyrosine-protein kinase RIPK2 | receptor-interacting serine/threonine-protein kinase 2
Type:
Protein
Mol. Mass.:
61201.30
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
540
Sequence:
MNGEAICSALPTIPYHKLADLRYLSRGASGTVSSARHADWRVQVAVKHLHIHTPLLDSERKDVLREAEILHKARFSYILPILGICNEPEFLGIVTEYMPNGSLNELLHRKTEYPDVAWPLRFRILHEIALGVNYLHNMTPPLLHHDLKTQNILLDNEFHVKIADFGLSKWRMMSLSQSRSSKSAPEGGTIIYMPPENYEPGQKSRASIKHDIYSYAVITWEVLSRKQPFEDVTNPLQIMYSVSQGHRPVINEESLPYDIPHRARMISLIESGWAQNPDERPSFLKCLIELEPVLRTFEEITFLEAVIQLKKTKLQSVSSAIHLCDKKKMELSLNIPVNHGPQEESCGSSQLHENSGSPETSRSLPAPQDNDFLSRKAQDCYFMKLHHCPGNHSWDSTISGSQRAAFCDHKTTPCSSAIINPLSTAGNSERLQPGIAQQWIQSKREDIVNQMTEACLNQSLDALLSRDLIMKEDYELVSTKPTRTSKVRQLLDTTDIQGEEFAKVIVQKLKDNKQMGLQPYPEILVVSRSPSLNLLQNKSM
  
Inhibitor
Name:
BDBM50467986
Synonyms:
CHEMBL4289904
Type:
Small organic molecule
Emp. Form.:
C20H26N4O4S
Mol. Mass.:
418.51
SMILES:
Cc1[nH]nc(Nc2ccnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C
Structure:
Search PDB for entries with ligand similarity: