BDBM25609 2,6-Disubstituted Pyrazine, 73::6-{[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-4-yl]oxy}-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

SMILES: COc1cc(Nc2cncc(Oc3cccc4C(CCc34)N=O)n2)cc(OC)c1OC

InChI Key: InChIKey=DHWMHOBCXIDJSM-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25609   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25609 (2,6-Disubstituted Pyrazine, 73 | 6-{[(1E)-1-(hydro...) Show SMILES COc1cc(Nc2cncc(Oc3cccc4C(CCc34)N=O)n2)cc(OC)c1OC Show InChI InChI=1S/C22H22N4O5/c1-28-18-9-13(10-19(29-2)22(18)30-3)24-20-11-23-12-21(25-20)31-17-6-4-5-14-15(17)7-8-16(14)26-27/h4-6,9-12,16H,7-8H2,1-3H3,(H,24,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/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