BindingDB PrimarySearch

BDBM28216 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide::benzimidazole thiophene carboxamide, 24

SMILES: C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F

InChI Key: InChIKey=SWIVJTVGOIXUKC-MRXNPFEDSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 28216
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM28216 (5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	22
GSK					Assay Description The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...				Bioorg Med Chem Lett 19: 1694-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.094 BindingDB Entry DOI: 10.7270/Q2319T6X
GSK					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM28216 (5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	7.2	22
GSK					Assay Description The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...				Bioorg Med Chem Lett 19: 1694-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.094 BindingDB Entry DOI: 10.7270/Q2319T6X
GSK					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM28216 (5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	160	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
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM28216 (5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	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
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM28216 (5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of NEK2 assessed as inhibition of substrate phosphorylation preincubated for 5 mins before addition of substrate by DELFIA assay				J Med Chem 54: 1626-39 (2011) Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM28216 (5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents 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
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM28216 (5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of NEK2 autophosphorylation preincubated with compound by DELFIA assay				J Med Chem 54: 1626-39 (2011) Article DOI: 10.1021/jm1011726 BindingDB Entry DOI: 10.7270/Q2057G7X
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)