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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50026208
Substrate
n/a
Meas. Tech.
ChEMBL_685663 (CHEMBL1285565)
IC50
<0.320000±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:
BDBM50026208
Synonyms:
CHEMBL1276193
Type:
Small organic molecule
Emp. Form.:
C31H26F2N8
Mol. Mass.:
548.5885
SMILES:
[H][C@]12CN(c3cc(F)c(c(F)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc4[nH]ncc34)[C@]([H])(CN1CC)C2 |r,wU:36.42,1.0,(-2.84,3.86,;-3.92,2.75,;-3.91,1.21,;-5.25,.44,;-5.24,-1.09,;-6.58,-1.88,;-6.57,-3.41,;-7.9,-4.19,;-5.23,-4.18,;-3.9,-3.4,;-2.56,-4.17,;-3.9,-1.86,;-5.22,-5.71,;-6.55,-6.48,;-6.55,-8.03,;-5.22,-8.8,;-3.89,-8.03,;-2.41,-8.51,;-1.5,-7.25,;-2.41,-6,;-3.89,-6.48,;.04,-7.25,;.81,-8.59,;2.35,-8.59,;3.12,-7.25,;2.34,-5.91,;.8,-5.92,;-1.93,-9.97,;-.43,-10.29,;.05,-11.75,;-.98,-12.9,;-2.49,-12.58,;-3.74,-13.48,;-4.98,-12.57,;-4.5,-11.11,;-2.96,-11.12,;-6.58,1.2,;-8.13,1.2,;-6.59,2.74,;-5.26,3.52,;-5.27,5.06,;-3.94,5.84,;-5.5,2.3,)|
Structure:
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