Reaction Details  Report a problem with these data
Target
Tyrosine-protein kinase JAK2
Ligand
BDBM50122318
Substrate
n/a
Meas. Tech.
ChEMBL_1519092 (CHEMBL3624170)
IC50
65±n/a nM
Citation
 Wan, H; Schroeder, GM; Hart, AC; Inghrim, J; Grebinski, J; Tokarski, JS; Lorenzi, MV; You, D; Mcdevitt, T; Penhallow, B; Vuppugalla, R; Zhang, Y; Gu, X; Iyer, R; Lombardo, LJ; Trainor, GL; Ruepp, S; Lippy, J; Blat, Y; Sack, JS; Khan, JA; Stefanski, K; Sleczka, B; Mathur, A; Sun, JH; Wong, MK; Wu, DR; Li, P; Gupta, A; Arunachalam, PN; Pragalathan, B; Narayanan, S; K C, N; Kuppusamy, P; Purandare, AV Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. ACS Med Chem Lett 6:850-5 (2015) [PubMed]  Article
Target
Name:
Tyrosine-protein kinase JAK2
Synonyms:
JAK-2 | JAK2_MOUSE | Jak2 | Janus kinase 2
Type:
PROTEIN
Mol. Mass.:
130251.33
Organism:
Mus musculus
Description:
ChEMBL_1291226
Residue:
1129
Sequence:
MGMACLTMTEMEATSTSPVHQNGDIPGSANSVKQIEPVLQVYLYHSLGQAEGEYLKFPSGEYVAEEICVAASKACGITPVYHNMFALMSETERIWYPPNHVFHIDESTRHDILYRIRFYFPHWYCSGSSRTYRYGVSRGAEAPLLDDFVMSYLFAQWRHDFVHGWIKVPVTHETQEECLGMAVLDMMRIAKEKDQTPLAVYNSVSYKTFLPKCVRAKIQDYHILTRKRIRYRFRRFIQQFSQCKATARNLKLKYLINLETLQSAFYTEQFEVKESARGPSGEEIFATIIITGNGGIQWSRGKHKESETLTEQDVQLYCDFPDIIDVSIKQANQECSNESRIVTVHKQDGKVLEIELSSLKEALSFVSLIDGYYRLTADAHHYLCKEVAPPAVLENIHSNCHGPISMDFAISKLKKAGNQTGLYVLRCSPKDFNKYFLTFAVERENVIEYKHCLITKNENGEYNLSGTKRNFSNLKDLLNCYQMETVRSDSIIFQFTKCCPPKPKDKSNLLVFRTNGISDVQISPTLQRHNNVNQMVFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHKTEVLLKVLDKAHRNYSESFFEAASMMSQLSHKHLVLNYGVCVCGEENILVQEFVKFGSLDTYLKKNKNSINILWKLGVAKQLAWAMHFLEEKSLIHGNVCAKNILLIREENRRTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDKHQLPAPKWTELANLINNCMDYEPDFRPAFRAVIRDLNSLFTPDYELLTENDMLPNMRIGALGFSGAFEDRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLRLIMEYLPYGSLRDYLQKHKERIDHKKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPVEFMRMIGNDKQGQMIVFHLIELLKSNGRLPRPEGCPDEIYVIMTECWNNNVSQRPSFRDLSLRVDQIIAA
  
Inhibitor
Name:
BDBM50122318
Synonyms:
BMS-911543
Type:
Small organic molecule
Emp. Form.:
C23H28N8O
Mol. Mass.:
432.5214
SMILES:
CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Structure:
Search PDB for entries with ligand similarity: