BDBM50235799 CHEMBL4096024
SMILES: Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
InChI Key: InChIKey=JOIFZCSCZYFMFD-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 |
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Cholinesterase (Equus caballus (Horse)) | BDBM50235799 (CHEMBL4096024) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
South China University of Technology Curated by ChEMBL | Assay Description Irreversible inhibition of equine serum BuChE assessed as second order carbamylation rate constant using S-butyrylthiocholine iodide as substrate pre... | Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50235799 (CHEMBL4096024) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
South China University of Technology Curated by ChEMBL | Assay Description Irreversible inhibition of human plasma BuChE assessed as second order carbamylation rate constant using S-butyrylthiocholine iodide as substrate pre... | Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50235799 (CHEMBL4096024) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
South China University of Technology Curated by ChEMBL | Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E | Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50235799 (CHEMBL4096024) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL 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 |
South China University of Technology Curated by ChEMBL | Assay Description Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations | Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50235799 (CHEMBL4096024) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
South China University of Technology Curated by ChEMBL | Assay Description Compound was tested for its ability to inhibit the neurotransmitter serotonin-5-HT reuptake system using [3H]5-HT as radioligand | Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50235799 (CHEMBL4096024) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
South China University of Technology Curated by ChEMBL | Assay Description Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells | Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X | |||||||||||
More data for this Ligand-Target Pair |