Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50099991'   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099991 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenet...) Show SMILES COc1cc2c(Nc3ccc(CCc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C32H34N4O3/c1-37-30-20-28-29(21-31(30)39-17-5-14-36-15-18-38-19-16-36)34-23-26(22-33)32(28)35-27-12-10-25(11-13-27)9-8-24-6-3-2-4-7-24/h2-4,6-7,10-13,20-21,23H,5,8-9,14-19H2,1H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of Dual specificity mitogen-activated protein kinase kinase in coupled activated Raf/MEK assay				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099991 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenet...) Show SMILES COc1cc2c(Nc3ccc(CCc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C32H34N4O3/c1-37-30-20-28-29(21-31(30)39-17-5-14-36-15-18-38-19-16-36)34-23-26(22-33)32(28)35-27-12-10-25(11-13-27)9-8-24-6-3-2-4-7-24/h2-4,6-7,10-13,20-21,23H,5,8-9,14-19H2,1H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair