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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50330916
Substrate
n/a
Meas. Tech.
ChEMBL_685663 (CHEMBL1285565)
IC50
0.710000±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:
BDBM50330916
Synonyms:
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane | CHEMBL1276187
Type:
Small organic molecule
Emp. Form.:
C31H28N8
Mol. Mass.:
512.6076
SMILES:
CN1C[C@@H]2CC[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wD:6.6,3.9,(-6.71,3.85,;-6.7,2.31,;-8.04,1.53,;-8.03,-.01,;-7.27,1.33,;-6.47,.46,;-5.36,1.55,;-5.36,.01,;-6.69,-.77,;-6.69,-2.3,;-5.35,-3.07,;-5.34,-4.61,;-6.68,-5.39,;-8.01,-4.62,;-8.02,-3.09,;-6.67,-6.92,;-8,-7.69,;-8,-9.24,;-6.67,-10.01,;-5.33,-9.24,;-3.86,-9.72,;-2.94,-8.46,;-3.86,-7.21,;-5.33,-7.69,;-1.41,-8.46,;-.64,-9.8,;.9,-9.8,;1.68,-8.46,;.9,-7.12,;-.64,-7.13,;-3.38,-11.18,;-1.88,-11.5,;-1.4,-12.96,;-2.43,-14.11,;-3.94,-13.79,;-5.19,-14.69,;-6.42,-13.78,;-5.94,-12.32,;-4.41,-12.33,)|
Structure:
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