BDBM26472 3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide::3-aminobenzene sulfonamide, 12f
SMILES: CN(c1ccc2nc(C)n(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
InChI Key: InChIKey=BOSPJTDRCVFWMR-UHFFFAOYSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM26472 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(meth...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | 7.5 | 22 |
GSK | Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium... | J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM26472 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
GSK | Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ... | J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM26472 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ... | J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM26472 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(meth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ... | J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM26472 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
GSK | Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ... | J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR | |||||||||||
More data for this Ligand-Target Pair |