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BDBM25589 2,6-Disubstituted Pyrazine, 52::7-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)-3,4-dihydro-2H-1-benzopyran-2-one

SMILES: COc1cc(Nc2cncc(Oc3ccc4CCC(=O)Oc4c3)n2)cc(OC)c1OC

InChI Key: InChIKey=WPQIHJNEPXGQCO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25589   
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))		BDBM25589
PNG
(2,6-Disubstituted Pyrazine, 52 | 7-({6-[(3,4,5-tri...)
Show SMILES COc1cc(Nc2cncc(Oc3ccc4CCC(=O)Oc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N3O6/c1-27-17-8-14(9-18(28-2)22(17)29-3)24-19-11-23-12-20(25-19)30-15-6-4-13-5-7-21(26)31-16(13)10-15/h4,6,8-12H,5,7H2,1-3H3,(H,24,25)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Cancer Research UK Centre for Cancer Therapeutics



Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...

J Med Chem 51: 3261-74 (2008)


Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR
More data for this
Ligand-Target Pair