Ki Summary

Reaction Details

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Target

Tyrosine-protein kinase JAK1 [574-1154]

Ligand

BDBM493081

Substrate/Competitor

n/a

Meas. Tech.

Enzymatic Inhibition Assay

IC50

0.100±n/a nM

Citation

Bacani, GM; Chai, W; Koudriakova, T; Krawczuk, PJ; Kreutter, KD; Leonard, K; Rizzolio, MC; Seierstad, M; Smith, RC; Tichenor, MS; Venable, JD; Wang, A Imidazopyrrolopyridine as inhibitors of the JAK family of kinases US Patent US10981911 Publication Date 4/20/2021

More Info.:

Get all data from this article, Assay Method

Tyrosine-protein kinase JAK1 [574-1154]

Name:

Tyrosine-protein kinase JAK1 [574-1154]

Synonyms:

JAK1 | JAK1 (aa 574-1154) | JAK1A | JAK1B | JAK1_HUMAN

Type:

Protein

Mol. Mass.:

66641.39

Organism:

Homo sapiens (Human)

Description:

P23458[574-1154]

Residue:

581

Sequence:

SFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISL
AFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFK
VAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECI
ERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPV
TPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKR
FLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLY
HENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDY
LGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECL
MQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKR
LPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK

BDBM493081

n/a

Name

BDBM493081

Synonyms:

2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(((1S,3R,5R,7S)-3-hydroxyadamantan-1-yl)methyl)acetamide | US10981911, Example 21

Type

Small organic molecule

Emp. Form.

C29H36N6O2

Mol. Mass.

500.6351

SMILES

OC12CC3CC(C1)CC(CNC(=O)Cc1nc4cnc5[nH]ccc5c4n1[C@H]1CC[C@H](CC#N)CC1)(C3)C2 |r,wU:29.33,wD:26.29,TLB:6:1:35:7.5.4,THB:6:5:35:1.2.36,0:1:35:7.5.4,0:1:7:35.3.4,2:1:7:35.3.4,2:3:7:1.6.36,(.49,3.62,;-1,3.22,;-1,4.76,;-2.33,5.53,;-3.08,4.37,;-3.1,1.97,;-1.9,1.3,;-4.49,1.32,;-3.66,3.22,;-5.2,3.22,;-5.97,1.89,;-5.2,.56,;-5.97,-.78,;-3.66,.56,;-2.89,-.78,;-3.52,-2.18,;-2.38,-3.22,;-2.39,-4.76,;-1.06,-5.53,;.28,-4.77,;1.74,-5.25,;2.65,-4.01,;1.75,-2.76,;.28,-3.23,;-1.05,-2.45,;-1.36,-.94,;-.27,.14,;1.22,-.25,;2.31,.83,;1.91,2.32,;3,3.41,;4.48,3.01,;5.97,2.61,;.42,2.72,;-.67,1.63,;-3.66,4.76,;-2.33,2.45,)|

Structure