Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 5' and Ligand = 'BDBM394379'   

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 kinase kinase 5 (Homo sapiens (Human))	BDBM394379 ((S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-5-morpholin...) Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCOCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F Show InChI InChI=1S/C24H24F3N9O2S/c1-14(24(25,26)27)36-13-30-33-21(36)23-32-20(11-39-23)31-22(37)16-8-18(35-10-17(29-12-35)15-2-3-15)19(9-28-16)34-4-6-38-7-5-34/h8-15H,2-7H2,1H3,(H,31,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.62	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2K64MD9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM394379 ((S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-5-morpholin...) Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCOCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F Show InChI InChI=1S/C24H24F3N9O2S/c1-14(24(25,26)27)36-13-30-33-21(36)23-32-20(11-39-23)31-22(37)16-8-18(35-10-17(29-12-35)15-2-3-15)19(9-28-16)34-4-6-38-7-5-34/h8-15H,2-7H2,1H3,(H,31,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.74	n/a	n/a	n/a	n/a
Washington University					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2K64MD9
					More data for this Ligand-Target Pair