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BDBM117243 US8653087, I-30

SMILES: COc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCN(C)CC1)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=YPNYRPBCWYTQSE-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 = 117243   
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))
BDBM117243
PNG
(US8653087, I-30)
Show SMILES COc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCN(C)CC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H26F3N9O2/c1-37-8-10-38(11-9-37)25-35-21-20(22(30)36-25)31-14-32-23(21)34-18-12-15(6-7-19(18)40-2)24(39)33-17-5-3-4-16(13-17)26(27,28)29/h3-7,12-14H,8-11H2,1-2H3,(H,33,39)(H2,30,35,36)(H,31,32,34)
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 35n/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