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Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50330906
Substrate
n/a
Meas. Tech.
ChEMBL_685663 (CHEMBL1285565)
IC50
7.3±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:
BDBM50330906
Synonyms:
2-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline | CHEMBL1276173
Type:
Small organic molecule
Emp. Form.:
C32H31N9
Mol. Mass.:
541.6488
SMILES:
CN(C)c1cc(ccc1-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12)N1C[C@@H]2C[C@H]1CN2C |r,wU:37.42,35.41,(6.85,-21.06,;8.19,-21.82,;8.2,-23.36,;9.52,-21.04,;9.51,-19.5,;10.85,-18.72,;12.19,-19.49,;12.19,-21.03,;10.85,-21.8,;10.86,-23.34,;9.53,-24.11,;9.53,-25.66,;10.87,-26.43,;12.2,-25.66,;13.68,-26.13,;14.59,-24.88,;13.68,-23.62,;12.2,-24.1,;16.13,-24.88,;16.9,-26.21,;18.44,-26.21,;19.21,-24.88,;18.43,-23.54,;16.89,-23.54,;14.15,-27.6,;15.65,-27.91,;16.14,-29.37,;15.1,-30.53,;13.59,-30.21,;12.35,-31.1,;11.11,-30.2,;11.59,-28.74,;13.13,-28.75,;10.84,-17.19,;12.17,-16.41,;12.17,-14.87,;10.59,-15.33,;9.51,-16.43,;9.49,-14.89,;10.83,-14.11,;10.82,-12.57,)|
Structure:
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