BDBM50058663 CHEMBL3326765

SMILES: C1CN(CCO1)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1

InChI Key: InChIKey=ZPVHTHDMYBCSQZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058663   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50058663 (CHEMBL3326765) Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C21H20N6O/c1-3-19(26-9-11-28-12-10-26)4-2-16(1)17-13-20-21(23-15-24-27(20)14-17)25-18-5-7-22-8-6-18/h1-8,13-15H,9-12H2,(H,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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
					More data for this Ligand-Target Pair