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 = 'BDBM50237288'   

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))	BDBM50237288 (CHEMBL4073198) Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1 Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description In vitro inhibition of porcine Dipeptidylpeptidase II.				Bioorg Med Chem Lett 27: 1709-1713 (2017) Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50237288 (CHEMBL4073198) Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1 Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description In vitro inhibition of porcine Dipeptidylpeptidase II.				Bioorg Med Chem Lett 27: 1709-1713 (2017) Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6
					More data for this Ligand-Target Pair