BDBM50442147 CHEMBL2441269
SMILES: O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3ccccc3s2)n1
InChI Key: InChIKey=CLAFAHXMXSENJP-UAPYVXQJSA-N
Data: 3 KI
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)) | BDBM50442147 (CHEMBL2441269) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of recombinant human FLAG-tagged ITK using biotinylated GST-SAM68 as substrate after 30 mins | ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human)) | BDBM50442147 (CHEMBL2441269) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd Curated by ChEMBL | Assay Description Inhibition of GST-tagged full-length ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysis | Bioorg Med Chem Lett 24: 5818-23 (2014) Article DOI: 10.1016/j.bmcl.2014.10.020 BindingDB Entry DOI: 10.7270/Q2NK3GNT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50442147 (CHEMBL2441269) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Aurora-B (unknown origin) using 5FAM-PKAtide as substrate after 120 mins | ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7 | |||||||||||
More data for this Ligand-Target Pair |