Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM204301'   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204301 (US9242996, 380) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cccc(Br)c1 |r| Show InChI InChI=1S/C25H27BrFN5O2/c1-29-13-21(16-3-2-4-18(26)11-16)32-25(33)19-6-5-17(12-20(19)27)23-24(28)30-14-22(31-23)15-7-9-34-10-8-15/h2-6,11-12,14-15,21,29H,7-10,13H2,1H3,(H2,28,30)(H,32,33)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00970	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
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