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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM228301
Substrate
n/a
Meas. Tech.
HTRF Biochemical Assay
Temperature
298.15±n/a K
IC50
0.1±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:
BDBM228301
Synonyms:
US9328099, 41-15
Type:
Small organic molecule
Emp. Form.:
C24H25ClFN7O
Mol. Mass.:
481.953
SMILES:
NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccc(Cl)cc1 |(-6.09,4.56,;-4.75,5.33,;-4.75,6.87,;-3.42,4.56,;-1.95,5.04,;-1.05,3.79,;-1.95,2.55,;-3.42,3.02,;-4.75,2.25,;-4.75,.71,;-3.42,-.06,;-3.42,-1.6,;-4.75,-2.37,;-6.09,-1.6,;-7.42,-2.37,;-6.09,-.06,;.49,3.79,;1.26,5.13,;2.8,5.13,;4.34,5.13,;-.28,2.46,;.49,1.13,;2.03,1.13,;2.8,2.46,;2.03,3.79,;2.8,-.21,;4.34,-.21,;5.11,-1.54,;4.34,-2.87,;5.11,-4.21,;6.65,-4.21,;7.56,-5.45,;7.42,-2.87,;6.65,-1.54,)|
Structure:
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