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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM246888
Substrate
n/a
Meas. Tech.
In Vitro JAK Kinase Assay
pH
7.8±n/a
Temperature
298.15±n/a K
IC50
<100±n/a nM
Comments
extracted
Citation
 Shvartsbart, A; Shepard, S; Combs, AP; Shao, L; Falahatpisheh, N; Zou, G; Yue, EW; Jalluri, RK Heterocyclic compounds as PI3K-γ inhibitors US Patent  US10065963 Publication Date 9/4/2018 
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:
BDBM246888
Synonyms:
US10053465, 26 | US10065963, Compound 26 | US10125150, Example 26 | US10336759, # 26 | US10479803, Example 26 | US10675284, Example 26 | US11084822, Example 26 | US11130767, # 26 | US11136326, Example 26 | US11304949, Compound 26 | US11324749, Comp. No. 26 | US11406640, Comp. No. 26 | US11596632, Comp. No. 26 | US9732097, Example 26 | trans-3-(4-{[4-(2- hydroxyethyl)-6- (trifluoromethyl) pyridin-2- yl]oxy}piperidin-1- yl)-1-[4-(7H- pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]cyclobutyl} acetonitrile
Type:
Small organic molecule
Emp. Form.:
C28H29F3N8O2
Mol. Mass.:
566.5775
SMILES:
OCCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:15.21,wD:13.13,(-.89,12.05,;-.49,10.57,;-1.58,9.48,;-1.18,7.99,;-2.27,6.9,;-1.87,5.41,;-2.96,4.32,;-2.56,2.84,;-3.65,1.75,;-3.25,.26,;-1.77,-.14,;-.68,.95,;-1.08,2.44,;-1.37,-1.63,;-2.14,-2.96,;-.8,-3.73,;.68,-4.13,;1.77,-3.04,;2.86,-1.95,;-.03,-2.4,;-1.57,-5.06,;-1.1,-6.53,;-2.34,-7.43,;-3.59,-6.53,;-3.11,-5.06,;-2.34,-8.97,;-3.68,-9.74,;-3.68,-11.28,;-2.34,-12.05,;-1.01,-11.28,;.45,-11.76,;1.36,-10.51,;.45,-9.27,;-1.01,-9.74,;-.39,5.01,;.7,6.1,;.3,7.59,;2.19,5.7,;3.28,6.79,;2.59,4.22,;3.68,5.31,)|
Structure:
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