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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM229454
Substrate
n/a
Meas. Tech.
HTRF Biochemical Assay
Temperature
298.15±n/a K
IC50
0.06±n/a nM
Comments
extracted
Citation
 Brubaker, J; Childers, ML; Christopher, M; Close, JT; Katz, JD; Jung, J; Peterson, S; Siliphaivanh, P; Siu, T; Smith, GF; Torres, LE; Woo, HC; Young, JR; Zhang, H Cyanomethylpyrazole carboxamides as janus kinase inhibitors US Patent  US9328099 Publication Date 5/3/2016 
Target
Name:
Tyrosine-protein kinase JAK1
Synonyms:
JAK-1 | JAK1 | JAK1A | JAK1B | JAK1_HUMAN | Janus kinase 1 | Janus kinase 1 (JAK1) | Janus kinase 1 JAK1
Type:
Protein
Mol. Mass.:
133293.73
Organism:
Homo sapiens (Human)
Description:
P23458
Residue:
1154
Sequence:
MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEELCIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQDGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRINNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMNWFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIREEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAHHYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVTCFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFMLKRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
  
Inhibitor
Name:
BDBM229454
Synonyms:
US9328099, 40-86
Type:
Small organic molecule
Emp. Form.:
C23H24FN7O
Mol. Mass.:
433.4814
SMILES:
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)Nc1ccccc1 |(-7.09,2.62,;-5.61,3.02,;-5.21,4.51,;-4.52,1.93,;-3.05,2.41,;-2.15,1.16,;-3.05,-.09,;-4.52,.39,;-5.61,-.7,;-5.21,-2.19,;-6.3,-3.28,;-5.9,-4.76,;-4.41,-5.16,;-3.32,-4.07,;-1.83,-4.47,;-3.72,-2.58,;-.61,1.16,;-1.38,2.49,;-.61,3.83,;.16,5.16,;.16,2.49,;1.7,2.49,;2.47,1.16,;1.7,-.17,;.16,-.17,;4.01,1.16,;4.78,2.49,;6.32,2.49,;7.09,3.83,;6.32,5.16,;4.78,5.16,;4.01,3.83,)|
Structure:
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