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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50317190   

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...) Show SMILES Oc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(O)cc54)ccc3c2c1 Show InChI InChI=1S/C27H24N4O2/c32-18-4-6-24-22(14-18)20-8-12-30(16-26(20)28-24)10-2-1-3-11-31-13-9-21-23-15-19(33)5-7-25(23)29-27(21)17-31/h4-9,12-17,32-33H,1-3,10-11H2/p+2	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...) Show SMILES Oc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(O)cc54)ccc3c2c1 Show InChI InChI=1S/C27H24N4O2/c32-18-4-6-24-22(14-18)20-8-12-30(16-26(20)28-24)10-2-1-3-11-31-13-9-21-23-15-19(33)5-7-25(23)29-27(21)17-31/h4-9,12-17,32-33H,1-3,10-11H2/p+2	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...) Show SMILES Oc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(O)cc54)ccc3c2c1 Show InChI InChI=1S/C27H24N4O2/c32-18-4-6-24-22(14-18)20-8-12-30(16-26(20)28-24)10-2-1-3-11-31-13-9-21-23-15-19(33)5-7-25(23)29-27(21)17-31/h4-9,12-17,32-33H,1-3,10-11H2/p+2	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