Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM204303'   

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))	BDBM204303 (US9242996, 382) Show SMILES CO[C@H]1CC[C@@H](CC1)c1cnc(N)c(n1)-c1ccc(C(=O)N[C@H](CN)c2cc(F)cc(I)c2)c(F)c1 |r,wU:2.1,wD:5.8,22.23,(-5.33,-7.31,;-6.67,-6.54,;-6.67,-5.01,;-8,-4.24,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-5.33,-4.24,;-6.67,-.39,;-8,.38,;-8,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,1.92,;-5.33,.38,;-4,2.69,;-2.67,1.92,;-1.33,2.69,;-1.33,4.23,;,5,;,6.54,;1.33,4.23,;2.67,5,;2.67,6.54,;4,7.31,;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,;-2.67,5,;-2.67,6.54,;-4,4.23,)| Show InChI InChI=1S/C26H28F2IN5O2/c1-36-19-5-2-14(3-6-19)23-13-32-25(31)24(33-23)15-4-7-20(21(28)10-15)26(35)34-22(12-30)16-8-17(27)11-18(29)9-16/h4,7-11,13-14,19,22H,2-3,5-6,12,30H2,1H3,(H2,31,32)(H,34,35)/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	0.0107	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