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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B-RAF V600E' and Ligand = 'BDBM333645'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM333645
PNG
(1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)NC4=CC(=[N](C)N4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C22H20F3N6O3S/c1-31-18(22(23,24)25)10-19(30-31)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11,30H,1-3H3,(H2,28,29,32)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair