BDBM50274752 CHEMBL458797::N-(1-(3-amino-3-oxopropyl)-5-(N-methylacetamido)-1H-benzo[d]imidazol-2-yl)-4-cyanobenzamide

SMILES: CN(C(C)=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1

InChI Key: InChIKey=CAHMXEROAVSIFN-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 = 50274752   

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))	BDBM50274752 (CHEMBL458797 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...) Show SMILES CN(C(C)=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C21H20N6O3/c1-13(28)26(2)16-7-8-18-17(11-16)24-21(27(18)10-9-19(23)29)25-20(30)15-5-3-14(12-22)4-6-15/h3-8,11H,9-10H2,1-2H3,(H2,23,29)(H,24,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of ITK by DELFIA assay				Bioorg Med Chem Lett 18: 5545-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.015 BindingDB Entry DOI: 10.7270/Q2M32VMD
					More data for this Ligand-Target Pair