BDBM50022941 CHEMBL3298368
SMILES: O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3CC3Cc12
InChI Key: InChIKey=SPABBLGEKOWLOG-UHFFFAOYSA-N
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)) | BDBM50022941 (CHEMBL3298368) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of GST-tagged full length ITK (unknown origin) using BLK peptide as substrate after 35 mins | J Med Chem 57: 5714-27 (2014) Article DOI: 10.1021/jm500550e BindingDB Entry DOI: 10.7270/Q2ZK5J7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human)) | BDBM50022941 (CHEMBL3298368) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of GST-tagged full length ITK (unknown origin) using BLK peptide as substrate after 35 mins | J Med Chem 57: 5714-27 (2014) Article DOI: 10.1021/jm500550e BindingDB Entry DOI: 10.7270/Q2ZK5J7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50022941 (CHEMBL3298368) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of human His-tagged full length AURKA using kemptide peptide as substrate after 60 mins | J Med Chem 57: 5714-27 (2014) Article DOI: 10.1021/jm500550e BindingDB Entry DOI: 10.7270/Q2ZK5J7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50022941 (CHEMBL3298368) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of human His-tagged full length AURKA using kemptide peptide as substrate after 60 mins | J Med Chem 57: 5714-27 (2014) Article DOI: 10.1021/jm500550e BindingDB Entry DOI: 10.7270/Q2ZK5J7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human)) | BDBM50022941 (CHEMBL3298368) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of ITK in human Jurkat cells assessed as reduction in PLC-gamma phosphorylation after 30 mins | J Med Chem 57: 5714-27 (2014) Article DOI: 10.1021/jm500550e BindingDB Entry DOI: 10.7270/Q2ZK5J7T | |||||||||||
More data for this Ligand-Target Pair |