Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50021739'   

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))	BDBM50021739 (CHEMBL3297858 | US9133187, II-43) Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CNS(C)(=O)=O)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C20H26ClFN6O3S/c1-12(2)25-19-23-9-14-6-7-28(11-18(14)26-19)20(29)27-17(10-24-32(3,30)31)13-4-5-16(22)15(21)8-13/h4-5,8-9,12,17,24H,6-7,10-11H2,1-3H3,(H,27,29)(H,23,25,26)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged ERK2 expressed in Escherichia coli using S/T17 as substrate after 30 mins by spectrophotometr...				Bioorg Med Chem Lett 24: 2635-9 (2014) Article DOI: 10.1016/j.bmcl.2014.04.068 BindingDB Entry DOI: 10.7270/Q2FQ9Z54
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50021739 (CHEMBL3297858 | US9133187, II-43) Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CNS(C)(=O)=O)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C20H26ClFN6O3S/c1-12(2)25-19-23-9-14-6-7-28(11-18(14)26-19)20(29)27-17(10-24-32(3,30)31)13-4-5-16(22)15(21)8-13/h4-5,8-9,12,17,24H,6-7,10-11H2,1-3H3,(H,27,29)(H,23,25,26)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	7.3	n/a
ARRAY BIOPHARMA INC.; GENENTECH, INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9133187 (2015) BindingDB Entry DOI: 10.7270/Q28W3C2N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50021739 (CHEMBL3297858 | US9133187, II-43) Show SMILES CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CNS(C)(=O)=O)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C20H26ClFN6O3S/c1-12(2)25-19-23-9-14-6-7-28(11-18(14)26-19)20(29)27-17(10-24-32(3,30)31)13-4-5-16(22)15(21)8-13/h4-5,8-9,12,17,24H,6-7,10-11H2,1-3H3,(H,27,29)(H,23,25,26)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	917	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of ERK2 in human HepG2 cells assessed as P90RSK phosphorylation at Ser380 after 1.5 hrs by fluorescence assay				Bioorg Med Chem Lett 24: 2635-9 (2014) Article DOI: 10.1016/j.bmcl.2014.04.068 BindingDB Entry DOI: 10.7270/Q2FQ9Z54
					More data for this Ligand-Target Pair