Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM305820
Substrate
n/a
Meas. Tech.
JAK Caliper Enzyme Assay at 1 mM ATP
IC50
21.0±n/a nM
Citation
 Brown, MF; Dermenci, A; Fensome, A; Gerstenberger, BS; Hayward, MM; Owen, DR; Wright, SW; Xing, LH; Yang, X Pyrazolo[1,5-A]PYRAZIN-4-YL derivatives US Patent  US10144738 Publication Date 12/4/2018 
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:
BDBM305820
Synonyms:
(1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)cyclobutane-1-carbonitrile | US10144738, Example 19 | US10822341, Example 19 | US11472809, Example 19
Type:
Small organic molecule
Emp. Form.:
C20H17N9
Mol. Mass.:
383.4093
SMILES:
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Structure:
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