BDBM50347869 CHEMBL1802388

SMILES: O=C(Nc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1)C#C

InChI Key: InChIKey=IMKRRDCNKBSOFS-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 = 50347869   

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
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50347869 (CHEMBL1802388) Show SMILES O=C(Nc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1)C#C |w:11.11| Show InChI InChI=1S/C15H10N4O2/c1-2-14(20)18-9-3-4-13-11(5-9)12(15(21)19-13)6-10-7-16-8-17-10/h1,3-8H,(H,16,17)(H,18,20)(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Nek2 in using [gamma-32P] ATP				J Med Chem 54: 4133-46 (2011) Article DOI: 10.1021/jm200222m BindingDB Entry DOI: 10.7270/Q2QC03TX
					More data for this Ligand-Target Pair