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SMILES: CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4F)C(=O)Nc4cc(on4)C(C)(C)C)c3n2)CC1

InChI Key: InChIKey=SFCOYXWITDBRQL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117714   
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))		BDBM117714
PNG
(US8653087, III-394)
Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4F)C(=O)Nc4cc(on4)C(C)(C)C)c3n2)CC1
Show InChI InChI=1S/C31H39FN10O2/c1-31(2,3)25-16-26(39-44-25)37-29(43)21-5-6-22(32)23(15-21)36-28-27-24(34-19-35-28)17-33-30(38-27)42-13-11-41(12-14-42)18-20-7-9-40(4)10-8-20/h5-6,15-17,19-20H,7-14,18H2,1-4H3,(H,34,35,36)(H,37,39,43)
PDB

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PC cid
PC sid
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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