BDBM50453822 CHEMBL3969370
SMILES: CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)nc12
InChI Key: InChIKey=CPKWRHVMDOSXKE-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 |
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Serine/threonine-protein kinase PLK4 (Homo sapiens (Human)) | BDBM50453822 (CHEMBL3969370) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of GST-tagged human PLK4 (1 to 836 residues) by Lanthascreen binding assay | Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human)) | BDBM50453822 (CHEMBL3969370) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 754 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of recombinant GST-tagged human LRRK2 (970 to 2527 residues) catalytic domain expressed in baculovirus expression system by ADAPTA assay | Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM50453822 (CHEMBL3969370) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of BRD4 (unknown origin) by AlphaScreen assay | Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50453822 (CHEMBL3969370) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of Aurora A auto-phosphorylation in human HCT116 cells after 4 hrs by Western blot analysis | Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50453822 (CHEMBL3969370) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of recombinant full length His-tagged human Aurora B expressed in baculovirus expression system by Z'LYTE assay | Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Aurora-C (Homo sapiens (Human)) | BDBM50453822 (CHEMBL3969370) | PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of recombinant full length GST-tagged human Aurora C expressed in baculovirus expression system by Z'LYTE assay | Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50453822 (CHEMBL3969370) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of recombinant full length His-tagged human Aurora A expressed in baculovirus expression system by Z'LYTE assay | Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50453822 (CHEMBL3969370) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of Aurora B in human HCT116 cells assessed as reduction in histone H3 phosphorylation at S10 residues after 4 hrs by Western blot analysis | Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB | |||||||||||
More data for this Ligand-Target Pair |