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BDBM117866 US8653087, III-546

SMILES: COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCC[C@H]3CO)c2)cc1C(F)(F)F

InChI Key: InChIKey=IYPNMXDUVVOEOX-LGWFVXIRNA-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 = 117866   
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))
BDBM117866
PNG
(US8653087, III-546)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCC[C@H]3CO)c2)cc1C(F)(F)F
Show InChI InChI=1/C27H26F3N7O3/c1-15-5-6-16(25(39)34-17-7-8-22(40-2)19(11-17)27(28,29)30)10-20(15)35-24-23-21(32-14-33-24)12-31-26(36-23)37-9-3-4-18(37)13-38/h5-8,10-12,14,18,38H,3-4,9,13H2,1-2H3,(H,34,39)(H,32,33,35)/t18-/s2
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PC sid
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Similars

US Patent
n/an/a 4n/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