BDBM50317180 2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carboline-2-ium dibromide::CHEMBL1088355

SMILES: C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21

InChI Key: InChIKey=MSKHZKJIIIDYDG-UHFFFAOYSA-P

Data: 1 KI  4 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 5 hits for monomerid = 50317180   

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
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50317180 (2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...) Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21 Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universitat Jena Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from human NR1-1a/NR2B receptor expressed in mouse L13-E6 cells				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
NR1/NR2A (Homo sapiens (Human))	BDBM50317180 (2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...) Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21 Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/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	2.20E+3	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))	BDBM50317180 (2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...) Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21 Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	248	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
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50317180 (2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...) Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21 Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	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/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assesse...				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))	BDBM50317180 (2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...) Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21 Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	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