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Target
Tyrosine-protein kinase JAK1
Ligand
BDBM246880
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:
BDBM246880
Synonyms:
US10053465, 19 | US10065963, Compound 19 | US10125150, Example 19 | US10336759, # 19 | US10479803, Example 19 | US10519163, Example 19 | US10675284, Example 19 | US11084822, Example 19 | US11130767, # 19 | US11136326, Example 19 | US11304949, Compound 19 | US11324749, Comp. No. 19 | US11406640, Comp. No. 19 | US11596632, Comp. No. 19 | US9732097, Example 19 | {1-(cis-4-{[4- [(ethylamino) methyl]-6- (trifluoromethyl) pyridin-2- yl]oxy}cyclohexyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]azetidin-3- yl}acetonitrile
Type:
Small organic molecule
Emp. Form.:
C29H32F3N9O
Mol. Mass.:
579.6193
SMILES:
CCNCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(9.82,5.48,;8.48,6.25,;7.15,5.48,;5.82,6.25,;4.48,5.48,;3.15,6.25,;1.82,5.48,;.48,6.25,;-.85,5.48,;-.85,3.94,;-2.18,3.17,;-3.52,3.94,;-3.52,5.48,;-2.18,6.25,;-4.85,3.17,;-5.25,1.68,;-6.74,2.08,;-8.28,2.08,;-9.05,3.41,;-9.82,4.74,;-6.34,3.56,;-7.51,.74,;-7.03,-.72,;-8.28,-1.63,;-9.52,-.72,;-9.05,.74,;-8.28,-3.17,;-9.61,-3.94,;-9.61,-5.48,;-8.28,-6.25,;-6.94,-5.48,;-5.48,-5.95,;-4.57,-4.71,;-5.48,-3.46,;-6.94,-3.94,;1.82,3.94,;3.15,3.17,;4.48,3.94,;3.15,1.63,;4.48,.86,;1.82,.86,;3.15,.09,)|
Structure:
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