BDBM50341543 3-(4-(Pyrrolidin-1-yl)benzoylamino)-5-(pyridin-4-yl)-(1H)-pyridin-2-one::CHEMBL1765773

SMILES: O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCC1

InChI Key: InChIKey=YWERFVJBBJKACW-UHFFFAOYSA-N

Data: 1 KI

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 = 50341543   

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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341543 (3-(4-(Pyrrolidin-1-yl)benzoylamino)-5-(pyridin-4-y...) Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C21H20N4O2/c26-20(16-3-5-18(6-4-16)25-11-1-2-12-25)24-19-13-17(14-23-21(19)27)15-7-9-22-10-8-15/h3-10,13-14H,1-2,11-12H2,(H,23,27)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair