Ki Summary

Reaction Details

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Target

Tyrosine-protein kinase JAK1

Ligand

BDBM50434788

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_962508 (CHEMBL2390550)

0.900000±n/a nM

Citation

Zak, M; Hurley, CA; Ward, SI; Bergeron, P; Barrett, K; Balazs, M; Blair, WS; Bull, R; Chakravarty, P; Chang, C; Crackett, P; Deshmukh, G; DeVoss, J; Dragovich, PS; Eigenbrot, C; Ellwood, C; Gaines, S; Ghilardi, N; Gibbons, P; Gradl, S; Gribling, P; Hamman, C; Harstad, E; Hewitt, P; Johnson, A; Johnson, T; Kenny, JR; Koehler, MF; Bir Kohli, P; Labadie, S; Lee, WP; Liao, J; Liimatta, M; Mendonca, R; Narukulla, R; Pulk, R; Reeve, A; Savage, S; Shia, S; Steffek, M; Ubhayakar, S; van Abbema, A; Aliagas, I; Avitabile-Woo, B; Xiao, Y; Yang, J; Kulagowski, JJ Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2. J Med Chem56:4764-85 (2013) [PubMed] Article

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

BDBM50434788

n/a

Name

BDBM50434788

Synonyms:

CHEMBL2386634

Type

Small organic molecule

Emp. Form.

C17H19N5O

Mol. Mass.

309.3657

SMILES

C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](CC1)C#N |r,wD:15.17,1.1,18.24,(35.43,-6.61,;34.67,-7.94,;33.13,-7.96,;35.45,-9.27,;34.84,-10.67,;35.99,-11.69,;35.99,-13.23,;37.32,-14,;38.65,-13.23,;40.12,-13.7,;41.02,-12.46,;40.12,-11.21,;38.65,-11.69,;37.31,-10.92,;36.98,-9.42,;38.05,-8.32,;37.62,-6.84,;38.7,-5.74,;40.2,-6.12,;40.61,-7.6,;39.54,-8.7,;41.27,-5.02,;42.35,-3.92,)|

Structure