Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Tyrosine-protein kinase JAK1
Ligand
BDBM264216
Substrate
n/a
Meas. Tech.
ChEMBL_1904020 (CHEMBL4406242)
IC50
7.0±n/a nM
Citation
Su, Q; Banks, E; Bebernitz, G; Bell, K; Borenstein, CF; Chen, H; Chuaqui, CE; Deng, N; Ferguson, AD; Kawatkar, S; Grimster, NP; Ruston, L; Lyne, PD; Read, JA; Peng, X; Pei, X; Fawell, S; Tang, Z; Throner, S; Vasbinder, MM; Wang, H; Winter-Holt, J; Woessner, R; Wu, A; Yang, W; Zinda, M; Kettle, JG Discovery of (2 J Med Chem 63:4517-4527 (2020) [PubMed] Article More Info.:
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:
BDBM264216
Synonyms:
(2R)-N-(3-{5-chloro- 2-[(3-methoxy-1- methyl-1H-pyrazol-4- yl)amino]pyrimidin-4- yl}-1H-indol-7-yl)-2- (4-methylpiperazin-1- yl)propanamide | US10167276, Example 36 | US10654835, Example 36 | US11247983, Example 36 | US9714236, 36
Type:
Small organic molecule
Emp. Form.:
C25H30ClN9O2
Mol. Mass.:
524.018
SMILES:
COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
Structure:
