Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 3' and Ligand = 'BDBM5718'   

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 3 (Homo sapiens (Human))	BDBM5718 (2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...) Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of ERK1/MAPK				Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM5718 (2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...) Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
					More data for this Ligand-Target Pair				3D Structure (crystal)