Ki Summary

Reaction Details

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Target

Tyrosine-protein kinase JAK1

Ligand

BDBM324513

Substrate/Competitor

n/a

Meas. Tech.

JAK Enzyme Assays

0.400±n/a nM

Citation

Cheng, Y; Hua, R; Kellar, T; Li, W; Gibbons, P; Zak, ME Therapeutic compounds, compositions and methods of use thereof US Patent US10189836 Publication Date 1/29/2019

More Info.:

Get all data from this article, Assay Method

Tyrosine-protein kinase JAK1

Name:

Tyrosine-protein kinase JAK1

Synonyms:

Type:

Protein

Mol. Mass.:

133293.73

Organism:

Homo sapiens (Human)

Description:

P23458

Residue:

1154

Sequence:

MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEEL
CIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTN
DNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQ
DGHDIENECLGMAVLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRI
NNVFKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLISSENEMN
WFHSNDGGNVLYYEVMVTGNLGIQWRHKPNVVSVEKEKNKLKRKKLENKHKKDEEKNKIR
EEWNNFSYFPEITHIVIKESVVSINKQDNKKMELKLSSHEEALSFVSLVDGYFRLTADAH
HYLCTDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDNILMTVT
CFEKSEQVQGAQKQFKNFQIEVQKGRYSLHGSDRSFPSLGDLMSHLKKQILRTDNISFML
KRCCQPKPREISNLLVATKKAQEWQPVYPMSQLSFDRILKKDLVQGEHLGRGTRTHIYSG
TLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRD
VENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNL
LLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFG
TTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRA
IMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDN
TGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLP
SGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIG
DFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDS
DSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRT
SFQNLIEGFEALLK

BDBM324513

n/a

Name

BDBM324513

Synonyms:

1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8-[3- (trifluoromethyl)cyclo- butanecarbonyl]-3,8- diazabicyclo[3.2.1]octan- 3-yl]-[1,2,4]triazolo[1,5-a] pyridin-2- yl]amino]pyrazol-1- yl]ethanone | US10189836, Example 82

Type

Small organic molecule

Emp. Form.

C30H37F3N10O2S

Mol. Mass.

658.741

SMILES

FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12 |r,wU:6.8,4.3,(12.15,-6.04,;10.81,-5.27,;10.04,-6.6,;11.58,-3.93,;9.48,-4.5,;9.08,-3.01,;7.59,-3.41,;7.99,-4.9,;6.26,-2.64,;4.93,-3.41,;6.26,-1.1,;4.93,-.33,;5.53,.52,;6.99,.52,;7.59,-.33,;7.59,1.21,;6.26,1.98,;4.93,1.21,;6.26,3.52,;7.59,4.29,;7.59,5.83,;6.25,6.6,;4.92,5.83,;3.46,6.3,;2.55,5.05,;1.01,5.05,;.24,3.72,;.87,2.31,;-.27,1.28,;-1.61,2.05,;-3.07,1.58,;-4.22,2.61,;-3.9,4.11,;-5.68,2.13,;-6.83,3.16,;-8.29,2.69,;-8.61,1.18,;-7.47,.15,;-6,.62,;-10.08,.7,;-11.45,1.4,;-12.15,.03,;-10.78,-.67,;-1.29,3.56,;3.46,3.81,;4.92,4.29,)|

Structure