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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM198335
Substrate
n/a
Meas. Tech.
Enzyme Assay
Temperature
298.15±n/a K
IC50
23.0±n/a nM
Comments
extracted
Citation
 Hayashi, K; Watanabe, T; Toyama, K; Kamon, J; Minami, M; Uni, M; Nasu, M Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same US Patent  US9556187 Publication Date 1/31/2017 
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:
BDBM198335
Synonyms:
US9216999, 138a | US9556187, Example 138a
Type:
Small organic molecule
Emp. Form.:
C21H21F3N6
Mol. Mass.:
414.4268
SMILES:
FC(F)(F)c1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,10.9,(5.04,7.19,;5.43,5.71,;6.92,5.31,;6.52,6.79,;4.35,4.62,;4.74,3.13,;3.66,2.04,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-1.1,-.83,;-2.19,-1.92,;-3.68,-1.52,;-4.07,-.03,;-2.98,1.06,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;1.77,3.93,;2.86,5.02,)|
Structure:
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