BDBM50317178 2-Methyl-9-[12-(2-methyl-beta-carboline-9-yl)dodecyl]-beta-carboline-2-ium iodide::CHEMBL1096994

SMILES: C[n+]1ccc2c(c1)n(CCCCCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21

InChI Key: InChIKey=PCEOSWRRLHSSOC-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 50317178   

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))	BDBM50317178 (2-Methyl-9-[12-(2-methyl-beta-carboline-9-yl)dodec...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C36H44N4/c1-37-25-21-31-29-17-11-13-19-33(29)39(35(31)27-37)23-15-9-7-5-3-4-6-8-10-16-24-40-34-20-14-12-18-30(34)32-22-26-38(2)28-36(32)40/h11-14,17-22,25-28H,3-10,15-16,23-24H2,1-2H3/q+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	5.60E+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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50317178 (2-Methyl-9-[12-(2-methyl-beta-carboline-9-yl)dodec...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C36H44N4/c1-37-25-21-31-29-17-11-13-19-33(29)39(35(31)27-37)23-15-9-7-5-3-4-6-8-10-16-24-40-34-20-14-12-18-30(34)32-22-26-38(2)28-36(32)40/h11-14,17-22,25-28H,3-10,15-16,23-24H2,1-2H3/q+2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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))	BDBM50317178 (2-Methyl-9-[12-(2-methyl-beta-carboline-9-yl)dodec...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C36H44N4/c1-37-25-21-31-29-17-11-13-19-33(29)39(35(31)27-37)23-15-9-7-5-3-4-6-8-10-16-24-40-34-20-14-12-18-30(34)32-22-26-38(2)28-36(32)40/h11-14,17-22,25-28H,3-10,15-16,23-24H2,1-2H3/q+2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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
NR1/NR2A (Homo sapiens (Human))	BDBM50317178 (2-Methyl-9-[12-(2-methyl-beta-carboline-9-yl)dodec...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C36H44N4/c1-37-25-21-31-29-17-11-13-19-33(29)39(35(31)27-37)23-15-9-7-5-3-4-6-8-10-16-24-40-34-20-14-12-18-30(34)32-22-26-38(2)28-36(32)40/h11-14,17-22,25-28H,3-10,15-16,23-24H2,1-2H3/q+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	4.40E+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