BDBM412689 US10399979, Compound 19b
SMILES: COc1cc2c3cnc4[nH]ccc4c3n([C@H](C(C)C)C(=O)NCC(F)(F)F)c(=O)c2cc1OC
InChI Key:
Data: 8 IC50
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 JAK1 (Homo sapiens (Human)) | BDBM412689 (US10399979, Compound 19b) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue Research Foundation US Patent | Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO... | US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM412689 (US10399979, Compound 19b) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue Research Foundation US Patent | Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO... | US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM412689 (US10399979, Compound 19b) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 26.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue Research Foundation US Patent | Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO... | US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM412689 (US10399979, Compound 19b) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method | J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM412689 (US10399979, Compound 19b) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | Article PubMed | n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method | J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM412689 (US10399979, Compound 19b) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method | J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human)) | BDBM412689 (US10399979, Compound 19b) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | Article PubMed | n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method | J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human)) | BDBM412689 (US10399979, Compound 19b) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue Research Foundation US Patent | Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO... | US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52 | |||||||||||
More data for this Ligand-Target Pair |