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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM229478
Substrate
n/a
Meas. Tech.
HTRF Biochemical Assay
Temperature
298.15±n/a K
IC50
0.09±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:
BDBM229478
Synonyms:
US9328099, 41-4
Type:
Small organic molecule
Emp. Form.:
C24H24F3N7O
Mol. Mass.:
483.4889
SMILES:
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccc(F)cc1F |(-6.09,3.9,;-4.75,4.67,;-4.75,6.21,;-3.42,3.9,;-1.95,4.37,;-1.05,3.13,;-1.95,1.88,;-3.42,2.36,;-4.75,1.59,;-4.75,.05,;-3.42,-.72,;-3.42,-2.26,;-4.75,-3.03,;-6.09,-2.26,;-7.42,-3.03,;-6.09,-.72,;.49,3.13,;1.26,4.46,;2.8,4.46,;4.34,4.46,;-.28,1.79,;.49,.46,;2.03,.46,;2.8,1.79,;2.03,3.13,;2.8,-.87,;4.34,-.87,;5.11,-2.21,;4.34,-3.54,;5.11,-4.87,;6.65,-4.87,;7.42,-6.21,;7.42,-3.54,;6.65,-2.21,;7.42,-.87,)|
Structure:
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