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

InChI Key: InChIKey=LUQZXHKITAVXKW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117351   
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
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM117351
PNG
(US8653087, III-31)
Show SMILES COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(nc34)N(C)CCN(C)C)c2)cc1C(F)(F)F
Show InChI InChI=1S/C26H26F4N8O2/c1-37(2)9-10-38(3)25-31-13-20-22(36-25)23(33-14-32-20)35-19-11-15(5-7-18(19)27)24(39)34-16-6-8-21(40-4)17(12-16)26(28,29)30/h5-8,11-14H,9-10H2,1-4H3,(H,34,39)(H,32,33,35)
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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