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 = 'BDBM200468'   

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))	BDBM200468 (US10011599, Example 97 | US9227969, 97 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CF)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H22ClF3N6O2/c1-15-36-24-13-35-23-11-21(31)18(17-4-3-16(9-20(17)29)40-28-33-6-2-7-34-28)10-19(23)27(24)38(15)25-5-8-37(14-22(25)32)26(39)12-30/h2-4,6-7,9-11,13,22,25H,5,8,12,14H2,1H3/t22-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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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