BDBM50311656 2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluorochroman-4-yl)-7H-purin-8(9H)-one::CHEMBL1079593
SMILES: Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1
InChI Key: InChIKey=DBXGGXLBTWZXBB-MRXNPFEDSA-N
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 JAK3 (Homo sapiens (Human)) | BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc Curated by ChEMBL | Assay Description Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay | Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc Curated by ChEMBL | Assay Description Inhibition of human JAK2 (532-1132) by time resolved fluorescence assay | Bioorg Med Chem Lett 19: 6788-92 (2009) Article DOI: 10.1016/j.bmcl.2009.09.080 BindingDB Entry DOI: 10.7270/Q24B31G4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged JAK1 (866 to 1154 residues) expressed in baculovirus expression system using PolyGT-Biotin as substrate me... | J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af... | J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... | J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged JAK1 (866 to 1154 residues) expressed in baculovirus expression system using PolyGT-Biotin as substrate me... | J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af... | J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50311656 (2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... | J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533 | |||||||||||
More data for this Ligand-Target Pair |