BDBM50274044 CHEMBL485584::N-[5-(Benzoyl-propyl-amino)-1-(2-carbamoyl-ethyl)-1H-benzoimidazol-2-yl]-4-chloro-benzamide

SMILES: CCCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1

InChI Key: InChIKey=GUHRTRNWIFORNU-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 = 50274044   

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))	BDBM50274044 (CHEMBL485584 | N-[5-(Benzoyl-propyl-amino)-1-(2-ca...) Show SMILES CCCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1 Show InChI InChI=1S/C27H26ClN5O3/c1-2-15-32(26(36)19-6-4-3-5-7-19)21-12-13-23-22(17-21)30-27(33(23)16-14-24(29)34)31-25(35)18-8-10-20(28)11-9-18/h3-13,17H,2,14-16H2,1H3,(H2,29,34)(H,30,31,35)	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	54	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of recombinant ITK (unknown origin) by DELFIA assay				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
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