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SMILES: COc1ccc(cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(NC4CCOC4)nc23)c1)C(F)(F)F

InChI Key: InChIKey=VFLSHSPXNOHQGN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117667   
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))		BDBM117667
PNG
(US8653087, III-347)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(NC4CCOC4)nc23)c1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N7O3/c1-14-3-4-15(24(37)35-19-10-16(26(27,28)29)5-6-21(19)38-2)9-18(14)34-23-22-20(31-13-32-23)11-30-25(36-22)33-17-7-8-39-12-17/h3-6,9-11,13,17H,7-8,12H2,1-2H3,(H,35,37)(H,30,33,36)(H,31,32,34)
PDB

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PC cid
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