BDBM50240828 CHEMBL4067978
SMILES: COc1cc2c(Nc3cc(Cl)c(OC)c(Cl)c3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
InChI Key: InChIKey=YCLIWTLPTXAGPQ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Wee1-like protein kinase 2 (Homo sapiens (Human)) | BDBM50240828 (CHEMBL4067978) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center Curated by ChEMBL | Assay Description Binding affinity to recombinant human N-terminal His6-tagged Wee2 kinase domain (202 to 492 residues) expressed in Escherichia coli BL21 (DE3) by iso... | J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase WEE1 (Homo sapiens (Human)) | BDBM50240828 (CHEMBL4067978) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center Curated by ChEMBL | Assay Description Binding affinity to recombinant human N-terminal His6-tagged Wee1 kinase domain (291 to 575 residues) expressed in Escherichia coli BL21 (DE3) by iso... | J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human)) | BDBM50240828 (CHEMBL4067978) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 444 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center Curated by ChEMBL | Assay Description Binding affinity to recombinant human N-terminal His6-tagged Myt1 kinase domain (75 to 361 residues) by isothermal titration calorimetry | J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |