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BDBM117685 US8653087, III-365

SMILES: CN(C1CCOC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(on3)C(C)(C)C)c2n1

InChI Key: InChIKey=CZSHJNSESCMIRV-UHFFFAOYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117685   
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))
BDBM117685
PNG
(US8653087, III-365)
Show SMILES CN(C1CCOC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(on3)C(C)(C)C)c2n1
Show InChI InChI=1/C26H30N8O3/c1-15-6-7-16(24(35)31-21-11-20(37-33-21)26(2,3)4)10-18(15)30-23-22-19(28-14-29-23)12-27-25(32-22)34(5)17-8-9-36-13-17/h6-7,10-12,14,17H,8-9,13H2,1-5H3,(H,28,29,30)(H,31,33,35)
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