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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase ABL1 | ||
| Ligand | BDBM50157628 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1565868 (CHEMBL3789972) | ||
| IC50 | >10000±n/a nM | ||
| Citation |  Fairhurst, RA; Marsilje, TH; Stutz, S; Boos, A; Niklaus, M; Chen, B; Jiang, S; Lu, W; Furet, P; McCarthy, C; Stauffer, F; Guagnano, V; Vaupel, A; Michellys, PY; Schnell, C; Jeay, S Optimisation of a 5-[3-phenyl-(2-cyclic-ether)-methyl-ether]-4-aminopyrrolopyrimidine series of IGF-1R inhibitors. Bioorg Med Chem Lett26:2057-64 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tyrosine-protein kinase ABL1 | |||
| Name: | Tyrosine-protein kinase ABL1 | ||
| Synonyms: | ABL | ABL1 | ABL1_HUMAN | Abelson murine leukemia viral oncogene homolog 1 | JTK7 | Proto-oncogene c-Abl | Proto-oncogene tyrosine-protein kinase ABL1 | Tyrosine-protein kinase (ABL) | Tyrosine-protein kinase ABL | Tyrosine-protein kinase ABL1 (ABL) | V-abl Abelson murine leukemia viral oncogene homolog 1 | c-ABL | p150 | tyrosine-protein kinase ABL1 isoform a | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 122897.30 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P00519 | ||
| Residue: | 1130 | ||
| Sequence: |
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| BDBM50157628 | |||
| n/a | |||
| Name | BDBM50157628 | ||
| Synonyms: | CHEMBL3786167 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H33FN6O3 | ||
| Mol. Mass. | 508.5877 | ||
| SMILES | CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| | ||
| Structure | 
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