Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 5' and Ligand = 'BDBM50505952'   

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))	BDBM50505952 (CHEMBL4475667 | US11034671, Example 48 | US1116809...) Show SMILES Cn1cc(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C22H21N7O2/c1-28-13-16(12-24-28)15-7-8-19-17(11-15)22(30)26-20-6-4-5-18(25-20)21-27-23-14-29(21)9-2-3-10-31-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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))	BDBM50505952 (CHEMBL4475667 | US11034671, Example 48 | US1116809...) Show SMILES Cn1cc(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C22H21N7O2/c1-28-13-16(12-24-28)15-7-8-19-17(11-15)22(30)26-20-6-4-5-18(25-20)21-27-23-14-29(21)9-2-3-10-31-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50505952 (CHEMBL4475667 | US11034671, Example 48 | US1116809...) Show SMILES Cn1cc(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C22H21N7O2/c1-28-13-16(12-24-28)15-7-8-19-17(11-15)22(30)26-20-6-4-5-18(25-20)21-27-23-14-29(21)9-2-3-10-31-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 1: Briefly, 20 μL aliquots of a 1.5× stock of ASK1, STK Substrate 3 and Assay Buffer were distributed in the wells of a white 384 well Opt...				Citation and Details BindingDB Entry DOI: 10.7270/Q25M68V5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50505952 (CHEMBL4475667 | US11034671, Example 48 | US1116809...) Show SMILES Cn1cc(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C22H21N7O2/c1-28-13-16(12-24-28)15-7-8-19-17(11-15)22(30)26-20-6-4-5-18(25-20)21-27-23-14-29(21)9-2-3-10-31-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding of compounds to ASK1 were determined using DiscoverX's proprietary technology. KINOMEscan™ is based on a competition binding assay th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185M8
					More data for this Ligand-Target Pair