BDBM50317190 6-Hydroxy-2-[5-(6-hydroxy-beta-carboline-2-ium-2-yl)pentyl]-beta-carboline-2-ium dibromide::CHEMBL1096868
SMILES: Oc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(O)cc54)ccc3c2c1
InChI Key: InChIKey=QTLHQXUXMHHSTK-UHFFFAOYSA-P
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NR1/NR2A (Homo sapiens (Human)) | BDBM50317190 (6-Hydroxy-2-[5-(6-hydroxy-beta-carboline-2-ium-2-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Schiller-Universitat Jena Curated by ChEMBL | Assay Description Inhibition of dexamethasone-induced human NR1-1a/NR2A receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L12-G10 cells assess... | J Med Chem 53: 3611-7 (2010) Article DOI: 10.1021/jm1000024 BindingDB Entry DOI: 10.7270/Q2SJ1KS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50317190 (6-Hydroxy-2-[5-(6-hydroxy-beta-carboline-2-ium-2-y...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Schiller-Universitat Jena Curated by ChEMBL | Assay Description Inhibition of electric eel AChE by modified Ellman's method | J Med Chem 53: 3611-7 (2010) Article DOI: 10.1021/jm1000024 BindingDB Entry DOI: 10.7270/Q2SJ1KS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50317190 (6-Hydroxy-2-[5-(6-hydroxy-beta-carboline-2-ium-2-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Schiller-Universitat Jena Curated by ChEMBL | Assay Description Inhibition of equine serum BChE by modified Ellman's method | J Med Chem 53: 3611-7 (2010) Article DOI: 10.1021/jm1000024 BindingDB Entry DOI: 10.7270/Q2SJ1KS0 | |||||||||||
More data for this Ligand-Target Pair |