Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM204295'   

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))	BDBM204295 (US9242996, 374) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@@H](CC1)OC)c1cc(F)cc(Br)c1 |r,wU:21.22,wD:3.3,24.29,(5.33,6.54,;4,7.31,;2.67,6.54,;2.67,5,;1.33,4.23,;,5,;,6.54,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-4,4.23,;-2.67,5,;-2.67,6.54,;-5.33,1.92,;-5.33,.38,;-6.67,-.39,;-8,.38,;-8,1.92,;-6.67,2.69,;-6.67,4.23,;-6.67,-1.93,;-5.33,-2.7,;-5.33,-4.24,;-6.67,-5.01,;-8,-4.24,;-8,-2.7,;-6.67,-6.54,;-5.33,-7.31,;4,4.23,;5.33,5,;6.67,4.23,;8,5,;6.67,2.69,;5.33,1.92,;5.33,.39,;4,2.69,)| Show InChI InChI=1S/C27H30BrF2N5O2/c1-32-13-23(17-9-18(28)12-19(29)10-17)35-27(36)21-8-5-16(11-22(21)30)25-26(31)33-14-24(34-25)15-3-6-20(37-2)7-4-15/h5,8-12,14-15,20,23,32H,3-4,6-7,13H2,1-2H3,(H2,31,33)(H,35,36)/t15-,20-,23-/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	0.0205	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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