BDBM50527746 CHEMBL4450626

SMILES: Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCCC3)c2n1

InChI Key: InChIKey=YSKINKFATIJMKM-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 = 50527746   

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 14 (Homo sapiens (Human))	BDBM50527746 (CHEMBL4450626) Show SMILES Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCCC3)c2n1 Show InChI InChI=1S/C18H17N5O/c19-17-21-12-13-5-10-23(16(13)22-17)15-4-9-20-14(11-15)3-8-18(24)6-1-2-7-18/h4-5,9-12,24H,1-2,6-7H2,(H2,19,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396
					More data for this Ligand-Target Pair