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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50303123
Substrate
n/a
Meas. Tech.
ChEMBL_597720 (CHEMBL1043507)
IC50
0.4±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 Lett 19:6957-61 (2009) [PubMed]  Article 
Target
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:
MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH
  
Inhibitor
Name:
BDBM50303123
Synonyms:
CHEMBL570681 | ethyl 3-(3-(7-fluoro-1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Type:
Small organic molecule
Emp. Form.:
C28H26FN7O2
Mol. Mass.:
511.5501
SMILES:
CCOC(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12 |THB:13:11:5:7.8,(15.45,-16.9,;14.13,-17.7,;12.78,-16.95,;11.46,-17.75,;10.11,-17,;11.49,-19.29,;10.96,-20.75,;9.44,-21.43,;10.81,-21.4,;12,-20.54,;13.54,-21.38,;13,-22.85,;12.55,-21.67,;13,-24.39,;11.67,-25.16,;11.67,-26.71,;13,-27.48,;14.34,-26.71,;15.81,-27.18,;16.72,-25.93,;15.81,-24.68,;14.34,-25.16,;18.26,-25.93,;19.02,-27.26,;20.56,-27.26,;21.33,-25.93,;20.55,-24.59,;19.02,-24.6,;15.88,-28.72,;14.58,-29.54,;14.64,-31.08,;16,-31.8,;16.06,-33.34,;17.31,-30.98,;18.8,-31.39,;19.66,-30.1,;18.69,-28.88,;17.24,-29.43,)|
Structure:
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