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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50485033
Substrate
n/a
Meas. Tech.
ChEMBL_816296 (CHEMBL2026972)
IC50
0.400000±n/a nM
Citation
 Ren, L; Ahrendt, KA; Grina, J; Laird, ER; Buckmelter, AJ; Hansen, JD; Newhouse, B; Moreno, D; Wenglowsky, S; Dinkel, V; Gloor, SL; Hastings, G; Rana, S; Rasor, K; Risom, T; Sturgis, HL; Voegtli, WC; Mathieu, S The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-RafV600E kinase. Bioorg Med Chem Lett 22:3387-91 (2012) [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:
BDBM50485033
Synonyms:
CHEMBL2023502
Type:
Small organic molecule
Emp. Form.:
C21H21F2N7O3S
Mol. Mass.:
489.498
SMILES:
CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cnn(C)c3)nc2n(C)c1=O |(13.75,-37.45,;12.42,-36.67,;11.08,-37.45,;9.76,-36.68,;8.98,-35.34,;10.52,-35.34,;8.42,-37.46,;7.09,-36.69,;7.08,-35.14,;5.74,-34.38,;4.42,-35.14,;3.08,-34.38,;4.42,-36.69,;5.75,-37.46,;5.75,-39,;3.08,-37.46,;1.76,-36.68,;.43,-37.45,;-.9,-36.67,;-2.23,-37.44,;-2.23,-38.98,;-3.57,-39.75,;-4.82,-38.87,;-4.86,-37.33,;-6.33,-36.88,;-7.21,-38.15,;-8.75,-38.18,;-6.28,-39.37,;-.91,-39.74,;.42,-38.98,;1.76,-39.75,;1.76,-41.29,;3.09,-38.99,;4.42,-39.75,)|
Structure:
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