BDBM50396006 CHEMBL405686
SMILES: COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5OC(=O)c1ccc(cc1)[N+]([O-])=O)cc4
InChI Key: InChIKey=PUAVTDKYTXNVBU-OIDHKYIRSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterase (Equus caballus (Horse)) | BDBM50396006 (CHEMBL405686) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abo Akademi University Curated by ChEMBL | Assay Description Inhibition of horse BChE by Ellman's method | Bioorg Med Chem 20: 6669-79 (2012) Article DOI: 10.1016/j.bmc.2012.09.040 BindingDB Entry DOI: 10.7270/Q2ZG6TBT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50396006 (CHEMBL405686) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abo Akademi University Curated by ChEMBL | Assay Description Inhibition of human BChE by Ellman's method | Bioorg Med Chem 20: 6669-79 (2012) Article DOI: 10.1016/j.bmc.2012.09.040 BindingDB Entry DOI: 10.7270/Q2ZG6TBT | |||||||||||
More data for this Ligand-Target Pair |