BDBM241235 US10479788, Example 77::US9409907, 77
SMILES: COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1
InChI Key: InChIKey=XTJZKALDRPVFSN-HNNXBMFYSA-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)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | PubMed | 0.200 | 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 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 | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | PubMed | 280 | 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 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 | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 560 | 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 | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 11 | 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 | |||||||||||||
Mitogen-activated protein kinase 8 (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 110 | 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 JNK1 expressed in baculovirus by lanthascreen assay | J Med Chem 59: 3671-88 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0B6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 9 (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 220 | 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 JNK2 expressed in baculovirus by lanthascreen assay | J Med Chem 59: 3671-88 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0B6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 20 | 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 | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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 US10479788 (2019) BindingDB Entry DOI: 10.7270/Q2BP055X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Jilin University Curated by ChEMBL | Assay Description Inhibition of MPS1 (unknown origin) in presence of 10 uM ATP | Eur J Med Chem 175: 247-268 (2019) Article DOI: 10.1016/j.ejmech.2019.04.047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Jilin University Curated by ChEMBL | Assay Description Inhibition of MPS1 (unknown origin) in presence of 1 mM ATP | Eur J Med Chem 175: 247-268 (2019) Article DOI: 10.1016/j.ejmech.2019.04.047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+5 | 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 PLK1 expressed in baculovirus by Z'-LYTE assay | J Med Chem 59: 3671-88 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0B6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 5 | 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)) | BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 59 | 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 |