BDBM50274627 CHEMBL483581::N-[1-(2-carbamoylethyl)-2-[(4-cyanobenzene)amido]-1H-1,3-benzodiazol-5-yl]-4-fluoro-N-methylbenzamide

SMILES: CN(C(=O)c1ccc(F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1

InChI Key: InChIKey=IOQHKVXGXHYAJS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50274627   

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))	BDBM50274627 (CHEMBL483581 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...) Show SMILES CN(C(=O)c1ccc(F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H21FN6O3/c1-32(25(36)18-6-8-19(27)9-7-18)20-10-11-22-21(14-20)30-26(33(22)13-12-23(29)34)31-24(35)17-4-2-16(15-28)3-5-17/h2-11,14H,12-13H2,1H3,(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	2	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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50274627 (CHEMBL483581 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...) Show SMILES CN(C(=O)c1ccc(F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H21FN6O3/c1-32(25(36)18-6-8-19(27)9-7-18)20-10-11-22-21(14-20)30-26(33(22)13-12-23(29)34)31-24(35)17-4-2-16(15-28)3-5-17/h2-11,14H,12-13H2,1H3,(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	330	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
					More data for this Ligand-Target Pair