Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase ITK/TSK (264/264 = 100%)† (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.20 | -49.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Vertex | Assay Description Assays were performed for the Itk enzyme containing residues 357-620, and an Itk enzyme containing the catalytic kinase domain and the TH and SH2 dom... | J Biol Chem 279: 18727-32 (2004) Article DOI: 10.1074/jbc.M400031200 BindingDB Entry DOI: 10.7270/Q2ZK5F0F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ITK/TSK (264/264 = 100%)† (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | <10 | <-45.7 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Vertex | Assay Description Assays were performed for the Itk enzyme containing residues 357-620, and an Itk enzyme containing the catalytic kinase domain and the TH and SH2 dom... | J Biol Chem 279: 18727-32 (2004) Article DOI: 10.1074/jbc.M400031200 BindingDB Entry DOI: 10.7270/Q2ZK5F0F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ITK/TSK (264/264 = 100%)† (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 4.02 | n/a | n/a | n/a | n/a | n/a | n/a |
ARRIEN PHARMACEUTICALS LLC US Patent | Assay Description 1H-pyrrolo[2,3-b]pyridine series of compounds and analogues in Table 3B were synthesized and tested in 10-dose IC50 mode with 3 fold serial dilutions... | US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ITK/TSK (264/264 = 100%)† (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 12.0 | n/a | n/a | n/a | n/a | n/a | n/a |
ARRIEN PHARMACEUTICALS LLC US Patent | Assay Description 1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja... | US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ITK/TSK (264/264 = 100%)† (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 12.8 | n/a | n/a | n/a | n/a | n/a | n/a |
ARRIEN PHARMACEUTICALS LLC US Patent | Assay Description 1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja... | US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ITK/TSK (264/264 = 100%)† (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd. Curated by ChEMBL | Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex | Bioorg Med Chem Lett 27: 2420-2423 (2017) Article DOI: 10.1016/j.bmcl.2017.04.014 BindingDB Entry DOI: 10.7270/Q2M90BT6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ITK/TSK (264/264 = 100%)† (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Curated by ChEMBL | Assay Description Binding constant for ITK kinase domain | Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ITK/TSK (264/264 = 100%)† (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Curated by ChEMBL | Assay Description Binding constant for ITK kinase domain | Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |