BDBM50173332 CHEMBL3810175
SMILES: COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)c(OC)c1
InChI Key: InChIKey=YOEFXWPAQVJLHB-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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Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM50173332 (CHEMBL3810175) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 46 | 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 MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ... | J Med Chem 59: 3671-88 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0B6T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM50173332 (CHEMBL3810175) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 4.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of wild type Myc-ectopic MPS1 (unknown origin) expressed in human HCT116 cells assessed as autophosphorylation at Thr33/Ser37 after 2 hrs ... | J Med Chem 59: 3671-88 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0B6T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM50173332 (CHEMBL3810175) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.54E+3 | 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 recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 mins | J Med Chem 59: 3671-88 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0B6T | |||||||||||
More data for this Ligand-Target Pair |