BDBM99537 CHEMBL2062804::US8501936, 35
SMILES: CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
InChI Key: InChIKey=RFZKSQIFOZZIAQ-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Focal adhesion kinase 1 (Homo sapiens (Human)) | BDBM99537 (CHEMBL2062804 | US8501936, 35) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc. US Patent | Assay Description The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ... | US Patent US8501936 (2013) BindingDB Entry DOI: 10.7270/Q22Z1455 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM99537 (CHEMBL2062804 | US8501936, 35) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc. US Patent | Assay Description The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ... | US Patent US8501936 (2013) BindingDB Entry DOI: 10.7270/Q22Z1455 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM99537 (CHEMBL2062804 | US8501936, 35) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 84.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc. US Patent | Assay Description The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ... | US Patent US8501936 (2013) BindingDB Entry DOI: 10.7270/Q22Z1455 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM99537 (CHEMBL2062804 | US8501936, 35) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc. Curated by ChEMBL | Assay Description Inhibition of human JAK1 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... | J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM99537 (CHEMBL2062804 | US8501936, 35) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 202 | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay | Eur J Med Chem 164: 193-213 (2019) Article DOI: 10.1016/j.ejmech.2018.12.019 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM99537 (CHEMBL2062804 | US8501936, 35) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc. Curated by ChEMBL | Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... | J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM99537 (CHEMBL2062804 | US8501936, 35) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc. Curated by ChEMBL | Assay Description Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... | J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM99537 (CHEMBL2062804 | US8501936, 35) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc. Curated by ChEMBL | Assay Description Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay | J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM99537 (CHEMBL2062804 | US8501936, 35) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ | |||||||||||
More data for this Ligand-Target Pair |