BDBM50072907 CHEMBL3410080
SMILES: O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCCC3)nn12
InChI Key: InChIKey=ZOSFYOBMRYUXAN-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM50072907 (CHEMBL3410080) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi Pharmaceutical Research Center Curated by ChEMBL | Assay Description Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting | J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM50072907 (CHEMBL3410080) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi Pharmaceutical Research Center Curated by ChEMBL | Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay | J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |