BDBM50341532 3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one::CHEMBL1738828::N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
SMILES: O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccccc1
InChI Key: InChIKey=KASWEFFYPLWMCM-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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Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human)) | BDBM50341532 (3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL | Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay | J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50341532 (3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of full length N-terminal His-tagged Aurora A (unknown origin) using fluorescence-labeled FL-Peptide 21 as substrate after 60 mins in pres... | Bioorg Med Chem 26: 3021-3029 (2018) Article DOI: 10.1016/j.bmc.2018.04.033 BindingDB Entry DOI: 10.7270/Q2736TKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM50341532 (3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa... | Bioorg Med Chem 26: 3021-3029 (2018) Article DOI: 10.1016/j.bmc.2018.04.033 BindingDB Entry DOI: 10.7270/Q2736TKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora B/Incenp (Homo sapiens (Human)) | BDBM50341532 (3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul... | Bioorg Med Chem 26: 3021-3029 (2018) Article DOI: 10.1016/j.bmc.2018.04.033 BindingDB Entry DOI: 10.7270/Q2736TKN | |||||||||||
More data for this Ligand-Target Pair |