null
SMILES: COc1cc(ccc1Nc1ncc2ccnc(SC3CCCCC3)c2n1)-c1cnn(C)c1
InChI Key: InChIKey=OPRFPXSJYIUWOX-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)) | BDBM241248 (US11046688, Example 90 | US9409907, 90) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 234 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Cancer Research Technology Limited US Patent | Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo... | US Patent US9409907 (2016) BindingDB Entry DOI: 10.7270/Q2C24VB2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241248 (US11046688, Example 90 | US9409907, 90) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo... | Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2KX2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human)) | BDBM241248 (US11046688, Example 90 | US9409907, 90) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | 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) Article DOI: 10.1021/acs.jmedchem.5b01811 BindingDB Entry DOI: 10.7270/Q2DZ0B6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241248 (US11046688, Example 90 | US9409907, 90) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 250 | 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) Article DOI: 10.1021/acs.jmedchem.5b01811 BindingDB Entry DOI: 10.7270/Q2DZ0B6T | |||||||||||
More data for this Ligand-Target Pair |