BDBM228270 US9555022, Example 02.09
SMILES: Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OCC(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1
InChI Key: InChIKey=AACZEBAKIQBZKP-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM228270 (US9555022, Example 02.09) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG Curated by ChEMBL | Assay Description Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated ... | J Med Chem 63: 8025-8042 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM228270 (US9555022, Example 02.09) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.7 | n/a |
Bayer Intellectual Property GmbH US Patent | Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (... | US Patent US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86 | |||||||||||
More data for this Ligand-Target Pair |