Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 5' and Ligand = 'BDBM490078'   

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))	BDBM490078 (US10968199, Example 4) Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OC(C)(C)C)c(C)cc2F)n1 Show InChI InChI=1S/C26H31FN6O3/c1-14(2)33-13-28-32-23(33)20-8-7-9-22(29-20)31-24(34)18-11-16(15(3)10-19(18)27)17-12-21(17)30-25(35)36-26(4,5)6/h7-11,13-14,17,21H,12H2,1-6H3,(H,30,35)(H,29,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Enanta Pharmaceuticals, Inc. US Patent					Assay Description ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...				US Patent US10968199 (2021) BindingDB Entry DOI: 10.7270/Q28W3HDS
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