BDBM241338 US10479788, Example 182::US9409907, 182
SMILES: CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
InChI Key: InChIKey=SGWLRDAOCLITOM-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)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | 0.110 | 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 full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60... | J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | 510 | 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 full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte... | J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 10 (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of recombinant human full length N-terminal GST-tagged JNK3 expressed in baculovirus expression system by Z'-LYTE assay | J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus expression system by Z'-LYTE assay | J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article 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 full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60... | J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase 9 (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of recombinant human full length His-tagged JNK2 expressed in baculovirus expression system by Z'-LYTE assay | J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of MPS1 autophosphorylation at Thr33/Ser37 in human HCT116 cells after 2 hrs by MSD assay | J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 3 | 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 | 3D Structure (crystal) | ||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.02E+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 full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte... | J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 3 | 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 | 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase 8 (Homo sapiens (Human)) | BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of recombinant human full length His-tagged JNK1 expressed in baculovirus expression system by Z'-LYTE assay | J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9 | |||||||||||
More data for this Ligand-Target Pair |