Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM200445'   

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 (Homo sapiens (Human))	BDBM200445 (US10011599, Example 74 | US9227969, 74 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cc(=O)n(C)cn2)cc1Cl Show InChI InChI=1S/C28H25ClFN7O3/c1-15-34-24-13-32-23-11-22(30)19(10-20(23)27(24)37(15)16-5-7-36(8-6-16)28(31)39)18-4-3-17(9-21(18)29)40-25-12-26(38)35(2)14-33-25/h3-4,9-14,16H,5-8H2,1-2H3,(H2,31,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
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