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SMILES: [H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(C)c(F)c2[nH]1
InChI Key:
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)) | BDBM50587598 (CHEMBL5074957 | US11661419, Example 46 | US2023028...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of ITK (unknown origin) using BTK peptide as substrate preincubated for 30 mins followed by addition of substrate and measured after 60 mi... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00619 BindingDB Entry DOI: 10.7270/Q2736VT6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human)) | BDBM50587598 (CHEMBL5074957 | US11661419, Example 46 | US2023028...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details BindingDB Entry DOI: 10.7270/Q2J96BBK | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human)) | BDBM50587598 (CHEMBL5074957 | US11661419, Example 46 | US2023028...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interleukin-2 (Homo sapiens (Human)) | BDBM50587598 (CHEMBL5074957 | US11661419, Example 46 | US2023028...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of IL-2 in CD3/CD28 activated human CD4+ve Th cells preincubated for 15 mins followed by addition of immuno-cult and measured after 24 hrs... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00619 BindingDB Entry DOI: 10.7270/Q2736VT6 | |||||||||||
More data for this Ligand-Target Pair |