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SMILES: CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCC(F)(F)F)c1F)c2=O

InChI Key: InChIKey=ZIHQAIDCEQXGDJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50179650   
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


(Homo sapiens (Human))		BDBM50179650
PNG
(CHEMBL3814582)
Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCC(F)(F)F)c1F)c2=O
Show InChI InChI=1S/C20H18F4N4O7S/c1-27(2)18(30)34-12-6-7-13-15(8-12)35-19(31)28(17(13)29)9-11-4-3-5-14(16(11)21)26-36(32,33)25-10-20(22,23)24/h3-8,25-26H,9-10H2,1-2H3
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay

Bioorg Med Chem 24: 3472-82 (2016)


Article DOI: 10.1016/j.bmc.2016.05.055
BindingDB Entry DOI: 10.7270/Q251415P
More data for this
Ligand-Target Pair