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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Serine/threonine-protein kinase B-raf | ||
| Ligand | BDBM50420795 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_839676 (CHEMBL2090790) | ||
| IC50 | 680±n/a nM | ||
| Citation |  Qin, J; Xie, P; Ventocilla, C; Zhou, G; Vultur, A; Chen, Q; Liu, Q; Herlyn, M; Winkler, J; Marmorstein, R Identification of a novel family of BRAF(V600E) inhibitors. J Med Chem55:5220-30 (2012) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Serine/threonine-protein kinase B-raf | |||
| Name: | Serine/threonine-protein kinase B-raf | ||
| Synonyms: | B-RAF | B-Raf Protein Kinase | B-Raf proto-oncogene serine/threonine-protein kinase | BRAF | BRAF1 | BRAF_HUMAN | RAFB1 | p94 | v-Raf murine sarcoma viral oncogene homolog B1 | ||
| Type: | Serine/threonine-protein kinase | ||
| Mol. Mass.: | 84446.00 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P15056 | ||
| Residue: | 766 | ||
| Sequence: |
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| BDBM50420795 | |||
| n/a | |||
| Name | BDBM50420795 | ||
| Synonyms: | CHEMBL2088027 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H15F2N5O5S2 | ||
| Mol. Mass. | 531.512 | ||
| SMILES | Oc1ccc(O)n1-c1ccc(F)c(c1F)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12 |(36.55,-5.4,;36.24,-6.91,;37.27,-8.05,;36.51,-9.39,;35,-9.07,;33.87,-10.11,;34.83,-7.55,;33.49,-6.78,;32.16,-7.56,;30.83,-6.8,;30.83,-5.27,;29.5,-4.5,;32.16,-4.5,;33.48,-5.26,;34.81,-4.48,;32.16,-2.97,;30.83,-2.21,;30.82,-3.74,;33.48,-2.2,;33.48,-.67,;34.82,.11,;34.81,1.68,;36.14,2.46,;37.48,1.7,;38.88,2.34,;39.92,1.2,;39.16,-.14,;37.65,.17,;33.47,2.44,;33.46,3.97,;32.13,1.67,;30.78,2.43,;29.44,1.66,;29.44,.1,;30.78,-.68,;32.13,.11,)| | ||
| Structure | 
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