Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM204297'   

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))	BDBM204297 (US9242996, 376) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(Br)c1 |r,wU:21.22,wD:3.3,24.26,(5.33,6.16,;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,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-8,-4.62,;-8,-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/C26H28BrF2N5O2/c1-31-12-22(16-8-17(27)11-18(28)9-16)34-26(36)20-7-4-15(10-21(20)29)24-25(30)32-13-23(33-24)14-2-5-19(35)6-3-14/h4,7-11,13-14,19,22,31,35H,2-3,5-6,12H2,1H3,(H2,30,32)(H,34,36)/t14-,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	0.0183	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
					More data for this Ligand-Target Pair