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SMILES: CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)cc(c1)C(F)(F)F

InChI Key: InChIKey=DFUBSCNWDWXUTE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117702   
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))		BDBM117702
PNG
(US8653087, III-382)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F4N9O2/c1-40-4-6-41(7-5-40)21-14-19(29(31,32)33)13-20(15-21)37-27(43)18-2-3-22(30)23(12-18)38-26-25-24(35-17-36-26)16-34-28(39-25)42-8-10-44-11-9-42/h2-3,12-17H,4-11H2,1H3,(H,37,43)(H,35,36,38)
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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