null
SMILES: O=C(Nc1ccc2cncc(C3CC3)c2c1)[C@@H]1C[C@H]1c1ccc(cc1)S(=O)(=O)Nc1ccccn1
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TYK2 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 1 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 2 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 2 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TYK2 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 12.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 1 (Homo sapiens (Human)) | BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer... | Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK | |||||||||||
More data for this Ligand-Target Pair |