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SMILES: CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1F)C(F)(F)F

InChI Key: InChIKey=LBDPXLJCUQKYKY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117709   
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))		BDBM117709
PNG
(US8653087, III-389)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1F)C(F)(F)F
Show InChI InChI=1S/C29H28F5N9O2/c1-42-5-7-43(8-6-42)23-12-18(11-19(24(23)31)29(32,33)34)38-27(44)16-2-3-20(30)21(10-16)40-26-25-22(36-15-37-26)13-35-28(41-25)39-17-4-9-45-14-17/h2-3,10-13,15,17H,4-9,14H2,1H3,(H,38,44)(H,35,39,41)(H,36,37,40)
PDB

UniProtKB/SwissProt

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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