Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 5' and Ligand = 'BDBM50505940'   

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))	BDBM50505940 (CHEMBL4449840) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC Show InChI InChI=1S/C30H27N3O5/c1-18(2)33-17-23(29(34)21-7-5-6-8-25(21)33)30(35)32-19-9-11-20(12-10-19)38-26-13-14-31-24-16-28(37-4)27(36-3)15-22(24)26/h5-18H,1-4H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01511 BindingDB Entry DOI: 10.7270/Q22Z19M2
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50505940 (CHEMBL4449840) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC Show InChI InChI=1S/C30H27N3O5/c1-18(2)33-17-23(29(34)21-7-5-6-8-25(21)33)30(35)32-19-9-11-20(12-10-19)38-26-13-14-31-24-16-28(37-4)27(36-3)15-22(24)26/h5-18H,1-4H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-...				J Med Chem 62: 10740-10756 (2019) Article DOI: 10.1021/acs.jmedchem.9b01206 BindingDB Entry DOI: 10.7270/Q2DF6VH5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50505940 (CHEMBL4449840) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC Show InChI InChI=1S/C30H27N3O5/c1-18(2)33-17-23(29(34)21-7-5-6-8-25(21)33)30(35)32-19-9-11-20(12-10-19)38-26-13-14-31-24-16-28(37-4)27(36-3)15-22(24)26/h5-18H,1-4H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of V5 tagged human ASK1 expressed in HEK-293T cells assessed as reduction in T838 autophosphorylation incubated for 1 hr				J Med Chem 62: 10740-10756 (2019) Article DOI: 10.1021/acs.jmedchem.9b01206 BindingDB Entry DOI: 10.7270/Q2DF6VH5
					More data for this Ligand-Target Pair