Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50026205
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:
BDBM50026205
Synonyms:
CHEMBL1276194
Type:
Small organic molecule
Emp. Form.:
C32H28F2N8
Mol. Mass.:
562.6151
SMILES:
[H][C@]12CN(c3cc(F)c(c(F)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc4[nH]ncc34)[C@]([H])(CN1C(C)C)C2 |r,wU:36.42,1.0,(9.92,3.92,;8.84,2.82,;8.84,1.28,;7.51,.5,;7.52,-1.03,;6.18,-1.82,;6.19,-3.35,;4.86,-4.13,;7.52,-4.11,;8.86,-3.34,;10.2,-4.11,;8.85,-1.8,;7.53,-5.65,;6.2,-6.42,;6.2,-7.97,;7.54,-8.74,;8.87,-7.97,;10.35,-8.44,;11.26,-7.19,;10.34,-5.93,;8.87,-6.41,;12.79,-7.19,;13.56,-8.52,;15.1,-8.52,;15.88,-7.19,;15.1,-5.85,;13.56,-5.85,;10.82,-9.91,;12.32,-10.22,;12.8,-11.68,;11.77,-12.84,;10.26,-12.52,;9.02,-13.41,;7.78,-12.51,;8.26,-11.05,;9.79,-11.06,;6.17,1.26,;4.63,1.26,;6.16,2.8,;7.5,3.58,;7.49,5.12,;8.82,5.9,;6.15,5.89,;7.26,2.36,)|
Structure:
Search PDB for entries with ligand similarity: