BDBM50339795 5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-3-(2-(trifluoromethyl)benzyloxy)thiophene-2-carboxamide::5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide::CHEMBL1614933
SMILES: CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
InChI Key: InChIKey=FNHUNERGHGEZMB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human)) | BDBM50339795 (5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidaz...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of NEK2 | J Med Chem 54: 1626-39 (2011) Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM50339795 (5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidaz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | <9 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of polo-like kinase 1 activity | J Med Chem 54: 1626-39 (2011) Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X | |||||||||||
More data for this Ligand-Target Pair |