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 = 'BDBM394381'   

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))	BDBM394381 ((S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-5-(dimethyl...) Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N(C)C)-n2cnc(c2)C2CC2)cs1)C(F)(F)F Show InChI InChI=1S/C22H22F3N9OS/c1-12(22(23,24)25)34-11-28-31-19(34)21-30-18(9-36-21)29-20(35)14-6-16(17(7-26-14)32(2)3)33-8-15(27-10-33)13-4-5-13/h6-13H,4-5H2,1-3H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.88	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))	BDBM394381 ((S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-5-(dimethyl...) Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N(C)C)-n2cnc(c2)C2CC2)cs1)C(F)(F)F Show InChI InChI=1S/C22H22F3N9OS/c1-12(22(23,24)25)34-11-28-31-19(34)21-30-18(9-36-21)29-20(35)14-6-16(17(7-26-14)32(2)3)33-8-15(27-10-33)13-4-5-13/h6-13H,4-5H2,1-3H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.12	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