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 = 'BDBM50538424'   

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))	BDBM50538424 (CHEMBL4643577) Show SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	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))	BDBM50538424 (CHEMBL4643577) Show SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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					Assay Description Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01458 BindingDB Entry DOI: 10.7270/Q27D2ZZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50538424 (CHEMBL4643577) Show SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full-length human ASK1 expressed in HEK293T cells assessed as reduction in autophosphorylation of ASK1 at T383 residue incubated for 1 ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01458 BindingDB Entry DOI: 10.7270/Q27D2ZZT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50538424 (CHEMBL4643577) Show SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	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