BDBM50338061 CHEMBL1684514::N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-6-yl)cyclohexanecarboxamide
SMILES: Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cc(NC(=O)C3CCCCC3)ccc12
InChI Key: InChIKey=OXYQYPAUFLWFAB-UHFFFAOYSA-N
Data: 1 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)) | BDBM50338061 (CHEMBL1684514 | N-(3-(6-methyl-1H-indol-2-yl)-1H-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed GmbH Curated by ChEMBL | Assay Description Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay | Bioorg Med Chem Lett 21: 1852-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.035 BindingDB Entry DOI: 10.7270/Q2MC90BW | |||||||||||
More data for this Ligand-Target Pair |