Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 397.4 BDBM50058654

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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 kinase 4 (Homo sapiens (Human))	BDBM50058654 (CHEMBL3326801) Show SMILES OCCn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C22H19N7O/c30-10-9-28-13-19(12-25-28)17-3-1-16(2-4-17)18-11-21-22(24-15-26-29(21)14-18)27-20-5-7-23-8-6-20/h1-8,11-15,30H,9-10H2,(H,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
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