BDBM50349452 CHEMBL1808572

SMILES: CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C

InChI Key: InChIKey=AWWXCJOYTYVQJQ-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 = 50349452   

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 8 (Homo sapiens (Human))	BDBM50349452 (CHEMBL1808572) Show SMILES CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C Show InChI InChI=1S/C23H22N6/c1-3-24-11-16-12-25-13-18(14(16)2)15-8-9-19-17(10-15)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23/h4-10,12-13,24H,3,11H2,1-2H3,(H,26,27)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of TPL2 using GST-MEK as substrate by LANCE assay				Bioorg Med Chem Lett 21: 4758-61 (2011) Article DOI: 10.1016/j.bmcl.2011.06.065 BindingDB Entry DOI: 10.7270/Q28W3DP4
					More data for this Ligand-Target Pair