Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK3 [512-1124]
Ligand
BDBM493114
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
42.0±n/a nM
Citation
 Bacani, GM; Chai, W; Koudriakova, T; Krawczuk, PJ; Kreutter, KD; Leonard, K; Rizzolio, MC; Seierstad, M; Smith, RC; Tichenor, MS; Venable, JD; Wang, A Imidazopyrrolopyridine as inhibitors of the JAK family of kinases US Patent  US10981911 Publication Date 4/20/2021 
Target
Name:
Tyrosine-protein kinase JAK3 [512-1124]
Synonyms:
JAK3 | JAK3 (aa 512-1124) | JAK3_HUMAN
Type:
Protein
Mol. Mass.:
68951.94
Organism:
Homo sapiens (Human)
Description:
P52333[512-1124]
Residue:
613
Sequence:
TFHKIPADSLEWHENLGHGSFTKIYRGCRHEVVDGEARKTEVLLKVMDAKHKNCMESFLEAASLMSQVSYRHLVLLHGVCMAGDSTMVQEFVHLGAIDMYLRKRGHLVPASWKLQVVKQLAYALNYLEDKGLPHGNVSARKVLLAREGADGSPPFIKLSDPGVSPAVLSLEMLTDRIPWVAPECLREAQTLSLEADKWGFGATVWEVFSGVTMPISALDPAKKLQFYEDRQQLPAPKWTELALLIQQCMAYEPVQRPSFRAVIRDLNSLISSDYELLSDPTPGALAPRDGLWNGAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALCRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS
  
Inhibitor
Name:
BDBM493114
Synonyms:
4-(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)acetamido)bicyclo[2.2.1]heptane-1-carboxamide | US10981911, Example 54
Type:
Small organic molecule
Emp. Form.:
C26H31N7O2
Mol. Mass.:
473.57
SMILES:
NC(=O)C12CCC(CC1)(C2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:29.34,wD:26.30,(-1.24,5.71,;-2.78,5.71,;-3.55,7.04,;-3.55,4.37,;-2.78,3.04,;-3.55,1.71,;-5.09,1.71,;-5.86,3.04,;-5.09,4.37,;-3.55,2.83,;-5.86,.37,;-5.09,-.96,;-5.86,-2.29,;-3.55,-.96,;-2.78,-2.29,;-3.41,-3.7,;-2.27,-4.73,;-2.27,-6.27,;-.93,-7.04,;.4,-6.27,;1.87,-6.75,;2.77,-5.5,;1.87,-4.26,;.4,-4.73,;-.93,-3.96,;-1.25,-2.46,;-.22,-1.31,;1.28,-1.63,;2.32,-.49,;1.84,.98,;2.87,2.12,;4.38,1.8,;5.86,1.4,;.33,1.3,;-.7,.15,)|
Structure:
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