Reaction Details | |||
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Target | Serine/threonine-protein kinase B-raf | ||
Ligand | BDBM50303112 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_597720 (CHEMBL1043507) | ||
IC50 | 4.90±n/a nM | ||
Citation | Di Grandi, MJ; Berger, DM; Hopper, DW; Zhang, C; Dutia, M; Dunnick, AL; Torres, N; Levin, JI; Diamantidis, G; Zapf, CW; Bloom, JD; Hu, Y; Powell, D; Wojciechowicz, D; Collins, K; Frommer, E Novel pyrazolopyrimidines as highly potent B-Raf inhibitors. Bioorg Med Chem Lett19:6957-61 (2009) [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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BDBM50303112 | |||
n/a | |||
Name | BDBM50303112 | ||
Synonyms: | 3-(1H-indazol-4-yl)-7-(8-(methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine | CHEMBL570453 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H25N7O2S | ||
Mol. Mass. | 499.587 | ||
SMILES | CS(=O)(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |THB:12:10:4:6.7,(-3.77,1.28,;-5.1,.49,;-6.44,-.27,;-6.43,1.27,;-5.06,-1.05,;-5.6,-2.52,;-7.12,-3.2,;-5.75,-3.16,;-4.56,-2.3,;-3.02,-3.14,;-3.56,-4.62,;-4,-3.43,;-3.56,-6.16,;-4.88,-6.93,;-4.89,-8.47,;-3.55,-9.24,;-2.22,-8.47,;-.75,-8.94,;.16,-7.69,;-.75,-6.44,;-2.22,-6.92,;1.7,-7.69,;2.47,-9.03,;4,-9.03,;4.77,-7.69,;4,-6.35,;2.46,-6.36,;-.68,-10.48,;-1.98,-11.3,;-1.92,-12.84,;-.56,-13.56,;.75,-12.74,;2.25,-13.15,;3.1,-11.86,;2.13,-10.65,;.68,-11.19,)| | ||
Structure |