Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase' and Ligand = 'BDBM50095227'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50095227 ((6,7-Dimethoxy-quinazolin-4-yl)-(4-phenoxy-phenyl)...) Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of ERK phosphorylation in coupled Raf-MEK-ERK ELISA (Weakly active)				Bioorg Med Chem Lett 10: 2825-8 (2000) BindingDB Entry DOI: 10.7270/Q22N51J8
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