Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM204294'   

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))	BDBM204294 (US9242996, 373) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(I)c1 |r,wU:23.25,wD:20.21,2.2,(4,6.93,;2.67,6.16,;2.67,4.62,;1.33,3.85,;,4.62,;,6.16,;-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-2.67,6.16,;-5.33,1.54,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-6.67,3.85,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-5.33,-4.62,;-5.33,-3.08,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,)| Show InChI InChI=1S/C25H26F2IN5O2/c26-16-7-15(8-17(28)10-16)21(11-29)33-25(35)19-6-3-14(9-20(19)27)23-24(30)31-12-22(32-23)13-1-4-18(34)5-2-13/h3,6-10,12-13,18,21,34H,1-2,4-5,11,29H2,(H2,30,31)(H,33,35)/t13-,18-,21-/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	0.00837	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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