Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1
Ligand
BDBM329978
Substrate
n/a
Meas. Tech.
JAK Caliper Enzyme Assay
IC50
31.0±n/a nM
Citation
 Fensome, A; Gopalsamy, A; Gerstenberger, BS; Efremov, IV; Wan, Z; Pierce, B; Telliez, J; Trujillo, JI; Zhang, L; Xing, L; Saiah, E Aminopyrimidinyl compounds US Patent  US11197867 Publication Date 12/14/2021 
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:
BDBM329978
Synonyms:
US10463675, Example 61 | US10980815, Ex. No. 61 | US11197867, Example 61 | US9663526, Example 61
Type:
Small organic molecule
Emp. Form.:
C23H28N8O
Mol. Mass.:
432.5214
SMILES:
CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H](C2)C#N)cc1C |r,wU:23.25,wD:17.24,20.23,25.30,THB:23:22:15.16.21:19.18,(4.67,-6.48,;4.67,-4.94,;3.33,-4.17,;3.33,-2.63,;2,-4.94,;.67,-4.17,;-.67,-4.94,;-.67,-6.48,;-2,-7.25,;-3.33,-6.48,;-4.67,-7.25,;-6,-6.48,;-6,-4.94,;-4.67,-4.17,;-3.33,-4.94,;-4.67,-2.63,;-3.33,-1.86,;-3.33,-.32,;-3.89,-1.29,;-5.43,-1.29,;-6,-.32,;-6,-1.86,;-4.67,.45,;-4.67,1.99,;-5.76,3.08,;-4.67,4.19,;-3.58,3.08,;-4.67,5.73,;-4.67,7.27,;.67,-7.25,;2.05,-6.51,;3.38,-7.28,)|
Structure:
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