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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50330921
Substrate
n/a
Meas. Tech.
ChEMBL_685663 (CHEMBL1285565)
IC50
0.410000±n/a nM
Citation
 Wang, X; Berger, DM; Salaski, EJ; Torres, N; Dutia, M; Hanna, C; Hu, Y; Levin, JI; Powell, D; Wojciechowicz, D; Collins, K; Frommer, E; Lucas, J Indazolylpyrazolopyrimidine as highly potent B-Raf inhibitors with in vivo activity. J Med Chem 53:7874-8 (2010) [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:
BDBM50330921
Synonyms:
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane | CHEMBL1276188
Type:
Small organic molecule
Emp. Form.:
C31H27FN8
Mol. Mass.:
530.5981
SMILES:
CN1C[C@@H]2CC[C@H]1CN2c1ccc(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wD:6.6,3.9,(4.83,5.26,;4.84,3.71,;3.5,2.93,;3.51,1.39,;4.27,2.73,;5.07,1.86,;6.17,2.95,;6.18,1.41,;4.85,.63,;4.85,-.9,;6.19,-1.67,;6.2,-3.21,;4.86,-3.98,;3.53,-3.22,;2.2,-4,;3.52,-1.68,;4.87,-5.52,;3.54,-6.29,;3.54,-7.84,;4.87,-8.61,;6.21,-7.84,;7.68,-8.31,;8.59,-7.06,;7.68,-5.8,;6.21,-6.28,;10.13,-7.06,;10.9,-8.39,;12.44,-8.39,;13.22,-7.06,;12.44,-5.72,;10.9,-5.72,;8.16,-9.78,;9.66,-10.09,;10.14,-11.55,;9.11,-12.71,;7.6,-12.39,;6.35,-13.29,;5.12,-12.38,;5.6,-10.92,;7.13,-10.93,)|
Structure:
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