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 = 'BDBM50538431'   

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))	BDBM50538431 (CHEMBL4642504) Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1ccccn1 Show InChI InChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)15-7-6-8-16(23-15)24-19(29)14-11-28(26-20(14)30-3)17-9-4-5-10-21-17/h4-13H,1-3H3,(H,23,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b...				ACS Med Chem Lett 11: 485-490 (2020) Article DOI: 10.1021/acsmedchemlett.9b00611 BindingDB Entry DOI: 10.7270/Q27084XK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50538431 (CHEMBL4642504) Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1ccccn1 Show InChI InChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)15-7-6-8-16(23-15)24-19(29)14-11-28(26-20(14)30-3)17-9-4-5-10-21-17/h4-13H,1-3H3,(H,23,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	299	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of V5 tagged human ASK1 expressed in HEK293T cells assessed as reduction in T848 autophosphorylation incubated for 1 hr by MSD assay				ACS Med Chem Lett 11: 485-490 (2020) Article DOI: 10.1021/acsmedchemlett.9b00611 BindingDB Entry DOI: 10.7270/Q27084XK
					More data for this Ligand-Target Pair