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SMILES: Fc1ccc(NS(=O)(=O)c2cccnc2)c(F)c1C#Cc1cnc2[nH]ccc2c1

InChI Key: InChIKey=OGXZPPQKOPSYNJ-AMHZRHSASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50091881   
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))		BDBM50091881
PNG
(CHEMBL3582388)
Show SMILES Fc1ccc(NS(=O)(=O)c2cccnc2)c(F)c1C#Cc1cnc2[nH]ccc2c1
Show InChI InChI=1S/C27H34N2O4S/c1-3-18(2)23(34)24(30)29-27(15-7-8-16-27)26(33)28-22(25(31)32)17-19-11-13-21(14-12-19)20-9-5-4-6-10-20/h4-6,9-14,18,22-23,34H,3,7-8,15-17H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)/t18?,22-,23+/m0/s1
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Article
PubMed
n/an/a 48n/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