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BDBM117466 US8653087, III-146

SMILES: CN(C)CCOc1cc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NCC5CCOC5)nc34)c2)cc(c1)C(F)(F)F

InChI Key: InChIKey=HGBAMBQUQCBTAG-UHFFFAOYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117466   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM117466
PNG
(US8653087, III-146)
Show SMILES CN(C)CCOc1cc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NCC5CCOC5)nc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1/C30H33F3N8O3/c1-18-4-5-20(28(42)38-22-11-21(30(31,32)33)12-23(13-22)44-9-7-41(2)3)10-24(18)39-27-26-25(36-17-37-27)15-35-29(40-26)34-14-19-6-8-43-16-19/h4-5,10-13,15,17,19H,6-9,14,16H2,1-3H3,(H,38,42)(H,34,35,40)(H,36,37,39)
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair