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BDBM117373 US8653087, III-53

SMILES: COc1ccc(NC(=O)c2ccc(c(Nc3ncnc4cnc(NCCN5CCOCC5)nc34)c2)C(F)(F)F)cc1C(F)(F)F

InChI Key: InChIKey=MBXNFIVUIUYGGR-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 117373   
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))
BDBM117373
PNG
(US8653087, III-53)
Show SMILES COc1ccc(NC(=O)c2ccc(c(Nc3ncnc4cnc(NCCN5CCOCC5)nc34)c2)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C28H26F6N8O3/c1-44-22-5-3-17(13-19(22)28(32,33)34)39-25(43)16-2-4-18(27(29,30)31)20(12-16)40-24-23-21(37-15-38-24)14-36-26(41-23)35-6-7-42-8-10-45-11-9-42/h2-5,12-15H,6-11H2,1H3,(H,39,43)(H,35,36,41)(H,37,38,40)
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 318n/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