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 = 'BDBM50464985'   

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))	BDBM50464985 (CHEMBL4282644) Show SMILES COc1ccc(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C(N)=O Show InChI InChI=1S/C19H20N6O3/c1-11(2)25-10-21-24-18(25)14-5-4-6-16(22-14)23-19(27)13-9-12(17(20)26)7-8-15(13)28-3/h4-11H,1-3H3,(H2,20,26)(H,22,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human GST-tagged ASK1 expressed in baculovirus expression system using STK3 peptide substrate preincubated for ...				Eur J Med Chem 145: 606-621 (2018) Article DOI: 10.1016/j.ejmech.2017.12.041 BindingDB Entry DOI: 10.7270/Q25H7JXQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50464985 (CHEMBL4282644) Show SMILES COc1ccc(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C(N)=O Show InChI InChI=1S/C19H20N6O3/c1-11(2)25-10-21-24-18(25)14-5-4-6-16(22-14)23-19(27)13-9-12(17(20)26)7-8-15(13)28-3/h4-11H,1-3H3,(H2,20,26)(H,22,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human ASK1 expressed in HEK293/AP1-Luc cells assessed as reduction in p38 phosphorylation after 18 hrs by HTRF ...				Eur J Med Chem 145: 606-621 (2018) Article DOI: 10.1016/j.ejmech.2017.12.041 BindingDB Entry DOI: 10.7270/Q25H7JXQ
					More data for this Ligand-Target Pair