BDBM25598 2,6-Disubstituted Pyrazine, 61::6-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)-2,3-dihydro-1H-inden-1-one

SMILES: COc1cc(Nc2cncc(Oc3ccc4CCC(=O)c4c3)n2)cc(OC)c1OC

InChI Key: InChIKey=RQKAIIPTCFEPGF-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 = 25598   

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))	BDBM25598 (2,6-Disubstituted Pyrazine, 61 | 6-({6-[(3,4,5-tri...) Show SMILES COc1cc(Nc2cncc(Oc3ccc4CCC(=O)c4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N3O5/c1-27-18-8-14(9-19(28-2)22(18)29-3)24-20-11-23-12-21(25-20)30-15-6-4-13-5-7-17(26)16(13)10-15/h4,6,8-12H,5,7H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	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
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