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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK1 | ||
| Ligand | BDBM398502 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | JAK1, JAK2 and JAK3 In Vitro Enzyme Assays | ||
| IC50 | 5.25±1.11 nM | ||
| Citation |  Bastian, JA; Clayton, JR; Coates, DA; Sall, DJ; Woods, TA Pyrazolylaminobenzimidazole derivatives as JAK inhibitors US Patent US10323019 Publication Date 6/18/2019 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tyrosine-protein kinase JAK1 | |||
| 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: |
| ||
| BDBM398502 | |||
| n/a | |||
| Name | BDBM398502 | ||
| Synonyms: | (2R)-1,1,1-Trifluoro-3-{[cis-4-({4-[(5-methoxy-1-methyl-1H-pyrazol-3-yl)amino]-1-methyl-1H-benzimidazol-6-yl}oxy)cyclohexyl]amino}propan-2-ol | US10323019, Example 6 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H29F3N6O3 | ||
| Mol. Mass. | 482.4993 | ||
| SMILES | COc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)nn1C |r,wU:13.16,10.9,wD:18.19,(-2.37,-9.48,;-3.14,-8.15,;-2.37,-6.81,;-.84,-6.66,;-.51,-5.15,;.82,-4.38,;.82,-2.84,;-.51,-2.07,;-.51,-.53,;-1.85,.24,;-1.85,1.78,;-.51,2.55,;-.51,4.09,;-1.85,4.86,;-3.18,4.09,;-3.18,2.55,;-1.85,6.4,;-3.18,7.17,;-3.18,8.71,;-1.85,9.48,;-4.51,9.48,;-4.51,11.02,;-5.85,8.71,;-5.85,10.25,;.82,.24,;2.15,-.53,;3.62,-.05,;4.02,1.43,;4.52,-1.3,;3.62,-2.55,;2.15,-2.07,;-1.85,-4.38,;-2.99,-5.4,;-4.52,-5.24,)| | ||
| Structure | 
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