Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM204302'   

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))	BDBM204302 (US9242996, 381) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cccc(Br)c1 |r,wU:21.22,wD:3.3,24.26,(6,6.16,;4.67,6.93,;3.33,6.16,;3.33,4.62,;2,3.85,;.67,4.62,;.67,6.16,;-.67,3.85,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-3.33,3.85,;-2,4.62,;-2,6.16,;-4.67,1.54,;-4.67,,;-6,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-6,3.85,;-6,-2.31,;-4.67,-3.08,;-4.67,-4.62,;-6,-5.39,;-6,-6.93,;-7.34,-4.62,;-7.34,-3.08,;4.67,3.85,;6,4.62,;7.34,3.85,;7.34,2.31,;6,1.54,;6,,;4.67,2.31,)| Show InChI InChI=1S/C26H29BrFN5O2/c1-30-13-22(16-3-2-4-18(27)11-16)33-26(35)20-10-7-17(12-21(20)28)24-25(29)31-14-23(32-24)15-5-8-19(34)9-6-15/h2-4,7,10-12,14-15,19,22,30,34H,5-6,8-9,13H2,1H3,(H2,29,31)(H,33,35)/t15-,19-,22-/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	0.0209	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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