Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase B-raf
Ligand
BDBM50462234
Substrate
n/a
Meas. Tech.
ChEMBL_1774291 (CHEMBL4231283)
IC50
2600±n/a nM
Citation
 Abdelatef, SA; El-Saadi, MT; Amin, NH; Abdelazeem, AH; Omar, HA; Abdellatif, KRA Design, synthesis and anticancer evaluation of novel spirobenzo[h]chromene and spirochromane derivatives with dual EGFR and B-RAF inhibitory activities. Eur J Med Chem 150:567-578 (2018) [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:
BDBM50462234
Synonyms:
CHEMBL4241486
Type:
Small organic molecule
Emp. Form.:
C29H34N2O2
Mol. Mass.:
442.5925
SMILES:
O=C(N\N=C1/CC2(CCCCC2)Oc2c1ccc1ccccc21)C1C2CC3CC(C2)CC1C3 |TLB:32:31:29:25.26.27,THB:27:26:23:30.28.29,27:28:23:25.32.26,1:23:29:25.26.27,32:26:23.31.30:29,(33.82,-4.03,;33.82,-5.57,;35.16,-6.34,;36.49,-5.57,;37.83,-6.33,;37.83,-7.88,;39.16,-8.64,;37.83,-9.4,;37.82,-10.94,;39.14,-11.72,;40.48,-10.95,;40.49,-9.41,;40.51,-7.87,;40.49,-6.33,;39.15,-5.56,;39.16,-4.01,;40.49,-3.24,;41.83,-4.01,;43.15,-3.23,;44.49,-3.99,;44.5,-5.54,;43.16,-6.32,;41.83,-5.55,;32.49,-6.34,;31.27,-7.59,;29.96,-7.08,;28.55,-7.4,;28.51,-8.93,;29.9,-9.53,;31.25,-9.08,;30.96,-8.32,;30.99,-6.73,;29.59,-6.14,)|
Structure:
Search PDB for entries with ligand similarity: