BindingDB logo
myBDB logout

null

SMILES: Cc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccnc2)c1F

InChI Key: InChIKey=XGYFNELDYNKIEO-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50091820   
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))		BDBM50091820
PNG
(CHEMBL3582393)
Show SMILES Cc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccnc2)c1F
Show InChI InChI=1S/C20H13F2N5O2S/c1-12-16-9-13(10-24-20(16)26-25-12)4-5-15-17(21)6-7-18(19(15)22)27-30(28,29)14-3-2-8-23-11-14/h2-3,6-11,27H,1H3,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/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