BDBM50275665 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[1,5-f][1,2,4]triazin-2-amine::5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine::CHEMBL519715
SMILES: COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC
InChI Key: InChIKey=HOOQLZPFGONGJY-UHFFFAOYSA-N
Data: 3 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50275665 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 |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50275665
(5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidaz...)Show SMILES COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC Show InChI InChI=1S/C21H21N5O3/c1-13-16-12-22-21(25-26(16)20(23-13)14-8-6-5-7-9-14)24-15-10-17(27-2)19(29-4)18(11-15)28-3/h5-12H,1-4H3,(H,24,25) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PLK3 (unknown origin) expressed in baculovirus infected Trichoplusia ni cells |
Bioorg Med Chem Lett 18: 6214-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.100 BindingDB Entry DOI: 10.7270/Q22Z15DQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50275665
(5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidaz...)Show SMILES COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC Show InChI InChI=1S/C21H21N5O3/c1-13-16-12-22-21(25-26(16)20(23-13)14-8-6-5-7-9-14)24-15-10-17(27-2)19(29-4)18(11-15)28-3/h5-12H,1-4H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PLK1 (unknown origin) expressed in baculovirus infected Trichoplusia ni cells |
Bioorg Med Chem Lett 18: 6214-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.100 BindingDB Entry DOI: 10.7270/Q22Z15DQ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50275665
(5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidaz...)Show SMILES COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC Show InChI InChI=1S/C21H21N5O3/c1-13-16-12-22-21(25-26(16)20(23-13)14-8-6-5-7-9-14)24-15-10-17(27-2)19(29-4)18(11-15)28-3/h5-12H,1-4H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) |
Bioorg Med Chem Lett 18: 6214-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.100 BindingDB Entry DOI: 10.7270/Q22Z15DQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |