Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50303125
Substrate
n/a
Meas. Tech.
ChEMBL_597720 (CHEMBL1043507)
IC50
4.4±n/a nM
Citation
 Di Grandi, MJ; Berger, DM; Hopper, DW; Zhang, C; Dutia, M; Dunnick, AL; Torres, N; Levin, JI; Diamantidis, G; Zapf, CW; Bloom, JD; Hu, Y; Powell, D; Wojciechowicz, D; Collins, K; Frommer, E Novel pyrazolopyrimidines as highly potent B-Raf inhibitors. Bioorg Med Chem Lett 19:6957-61 (2009) [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:
BDBM50303125
Synonyms:
CHEMBL571744 | ethyl 3-(2-(pyridin-4-yl)-3-(7-(trifluoromethyl)-1H-indazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Type:
Small organic molecule
Emp. Form.:
C29H26F3N7O2
Mol. Mass.:
561.5576
SMILES:
CCOC(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(c2[nH]ncc12)C(F)(F)F |THB:13:11:5:7.8,(.29,-34.91,;-1.03,-35.7,;-2.38,-34.96,;-3.7,-35.75,;-5.05,-35.01,;-3.67,-37.29,;-4.2,-38.76,;-5.73,-39.44,;-4.35,-39.41,;-3.16,-38.54,;-1.62,-39.39,;-2.16,-40.86,;-2.61,-39.67,;-2.16,-42.4,;-3.49,-43.17,;-3.49,-44.72,;-2.15,-45.49,;-.82,-44.72,;.65,-45.19,;1.56,-43.94,;.65,-42.69,;-.82,-43.17,;3.1,-43.94,;3.87,-45.28,;5.41,-45.28,;6.18,-43.94,;5.4,-42.6,;3.86,-42.61,;.72,-46.73,;-.58,-47.55,;-.52,-49.1,;.84,-49.81,;2.15,-48.99,;3.65,-49.4,;4.5,-48.11,;3.53,-46.9,;2.08,-47.44,;.9,-51.35,;-.4,-52.17,;2.26,-52.07,;.89,-52.89,)|
Structure:
Search PDB for entries with ligand similarity: