BDBM50274666 CHEMBL485626::N-[1-(2-carbamoylethyl)-2-[(4-cyanobenzene)amido]-1H-1,3-benzodiazol-5-yl]-4-methoxy-N-methylbenzamide
SMILES: COc1ccc(cc1)C(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
InChI Key: InChIKey=QVNRUMIEALUOHI-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50274666 (CHEMBL485626 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...) | 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 | 7 | 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)) | BDBM50274666 (CHEMBL485626 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...) | 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 | 1.10E+3 | 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 |