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SMILES: CCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3F)C(=O)Nc3cc(on3)C(C)(C)C)c2n1

InChI Key: InChIKey=LLMCYGWIIMBNHC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117718   
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))		BDBM117718
PNG
(US8653087, III-398)
Show SMILES CCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3F)C(=O)Nc3cc(on3)C(C)(C)C)c2n1
Show InChI InChI=1S/C26H30FN9O2/c1-5-35-8-10-36(11-9-35)25-28-14-19-22(33-25)23(30-15-29-19)31-18-12-16(6-7-17(18)27)24(37)32-21-13-20(38-34-21)26(2,3)4/h6-7,12-15H,5,8-11H2,1-4H3,(H,29,30,31)(H,32,34,37)
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PC cid
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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