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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50140052
Substrate
n/a
Meas. Tech.
ChEMBL_1549998 (CHEMBL3755449)
IC50
220±n/a nM
Citation
 Lu, B; Cao, H; Cao, J; Huang, S; Hu, Q; Liu, D; Shen, R; Shen, X; Tao, W; Wan, H; Wang, D; Yan, Y; Yang, L; Zhang, J; Zhang, L; Zhang, L; Zhang, M Discovery of EBI-907: A highly potent and orally active B-Raf(V600E) inhibitor for the treatment of melanoma and associated cancers. Bioorg Med Chem Lett 26:819-23 (2016) [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:
BDBM50140052
Synonyms:
CHEMBL3753129
Type:
Small organic molecule
Emp. Form.:
C23H22F2N4O3S
Mol. Mass.:
472.508
SMILES:
CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc3[nH]nc(C4CC4)c3c2cc1OC |(-13.75,-1.62,;-12.68,-2.23,;-11.35,-1.45,;-10.01,-2.22,;-10,-3.45,;-8.94,-2.83,;-8.68,-1.44,;-7.34,-2.2,;-7.34,-3.74,;-6,-4.5,;-4.67,-3.73,;-3.6,-4.34,;-4.67,-2.19,;-6.01,-1.42,;-6.02,-.19,;-3.35,-1.39,;-2,-2.11,;-.68,-1.39,;.66,-2.11,;2,-1.39,;2,.15,;3.17,1.19,;2.53,2.6,;.98,2.43,;-.05,3.57,;-.44,4.98,;-1.49,3.85,;.66,.92,;-.68,.15,;-2,.92,;-3.35,.15,;-4.69,.92,;-4.69,2.16,)|
Structure:
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