BDBM50079373 CHEMBL3417004
SMILES: COc1cc(N)c(Cl)cc1\C(CCC1CCN(CC2CCCCC2)CC1)=N\O
InChI Key: InChIKey=AXHPQZJBCUOUAV-NJNXFGOHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HTR4 (GUINEA PIG) | BDBM50079373 (CHEMBL3417004) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CERMN Curated by ChEMBL | Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay | J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50079373 (CHEMBL3417004) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
CERMN Curated by ChEMBL | Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method | J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50079373 (CHEMBL3417004) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CERMN Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate by Ellman' method | J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH | |||||||||||
More data for this Ligand-Target Pair |