BDBM50341541 3-(4-Cyclohexylbenzoylamino)-5-(pyridin-4-yl)-(1H)-pyridin-2-one::CHEMBL1765771

SMILES: O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)C1CCCCC1

InChI Key: InChIKey=CHXDTVSEOSVSFP-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 = 50341541   

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))	BDBM50341541 (3-(4-Cyclohexylbenzoylamino)-5-(pyridin-4-yl)-(1H)...) Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C23H23N3O2/c27-22(19-8-6-17(7-9-19)16-4-2-1-3-5-16)26-21-14-20(15-25-23(21)28)18-10-12-24-13-11-18/h6-16H,1-5H2,(H,25,28)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	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