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SMILES: Cc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCNCC1)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=DOCBMNGXBBUZAX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117279   
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))		BDBM117279
PNG
(US8653087, I-66)
Show SMILES Cc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCNCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N9O/c1-14-5-6-15(23(38)33-17-4-2-3-16(12-17)25(26,27)28)11-18(14)34-22-20-19(31-13-32-22)21(29)36-24(35-20)37-9-7-30-8-10-37/h2-6,11-13,30H,7-10H2,1H3,(H,33,38)(H2,29,35,36)(H,31,32,34)
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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