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SMILES: COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccnc2)c1F

InChI Key: InChIKey=XFXIISXNIPIZIZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50091864   
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))		BDBM50091864
PNG
(CHEMBL3582391)
Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccnc2)c1F
Show InChI InChI=1S/C20H13F2N5O3S/c1-30-20-15-9-12(10-24-19(15)25-26-20)4-5-14-16(21)6-7-17(18(14)22)27-31(28,29)13-3-2-8-23-11-13/h2-3,6-11,27H,1H3,(H,24,25,26)
PDB
MMDB

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KEGG

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PC cid
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay

ACS Med Chem Lett 6: 543-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00039
BindingDB Entry DOI: 10.7270/Q26W9CT5
More data for this
Ligand-Target Pair