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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM198309
Substrate
n/a
Meas. Tech.
Enzyme Assay
Temperature
298.15±n/a K
IC50
3.30±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:
BDBM198309
Synonyms:
US9216999, 116 | US9556187, Example 116
Type:
Small organic molecule
Emp. Form.:
C21H20FN7
Mol. Mass.:
389.4288
SMILES:
Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(c1)C#N |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,;1.03,5.07,;-.46,5.47,)|
Structure:
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