BDBM50220048 (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-bis[2-(acetyloxy)ethyl]-24-phenyl-10,26-dioxa-8,15,24,31-tetraazaundecacyclo[29.5.2.0^{1,32}.0^{2,7}.0^{8,36}.0^{9,22}.0^{13,21}.0^{15,19}.0^{18,23}.0^{25,35}.0^{29,34}]octatriaconta-2,4,6,12,28-pentaene-15,31-diium dibromide::CHEMBL395960

SMILES: CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1

InChI Key: InChIKey=FNULMNZULDBPSF-XYMHRNEGSA-N

Data: 3 KI  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 6 hits for monomerid = 50220048   

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
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50220048 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:6.5,22.24,c:48,t:21,TEB:23:22:31.36.35:33,5:6:11:14.13.9| Show InChI InChI=1S/C46H56N4O6/c1-28(51)53-22-18-49-16-12-33-38(49)24-34-30(26-49)13-20-55-44-40(34)42(33)47(32-8-4-3-5-9-32)45-41-35-25-39-46(36-10-6-7-11-37(36)48(44)43(41)46)15-17-50(39,19-23-54-29(2)52)27-31(35)14-21-56-45/h3-11,13-14,33-35,38-45H,12,15-27H2,1-2H3/q+2/t33-,34-,35-,38-,39-,40+,41+,42+,43-,44+,45+,46+,49?,50?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]methyllycaconitine from human alpha-7 in tsA201 cells coexpressed with 5HT3A receptor				J Med Chem 50: 4616-29 (2007) Article DOI: 10.1021/jm070574f BindingDB Entry DOI: 10.7270/Q2J67HRC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50220048 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:6.5,22.24,c:48,t:21,TEB:23:22:31.36.35:33,5:6:11:14.13.9| Show InChI InChI=1S/C46H56N4O6/c1-28(51)53-22-18-49-16-12-33-38(49)24-34-30(26-49)13-20-55-44-40(34)42(33)47(32-8-4-3-5-9-32)45-41-35-25-39-46(36-10-6-7-11-37(36)48(44)43(41)46)15-17-50(39,19-23-54-29(2)52)27-31(35)14-21-56-45/h3-11,13-14,33-35,38-45H,12,15-27H2,1-2H3/q+2/t33-,34-,35-,38-,39-,40+,41+,42+,43-,44+,45+,46+,49?,50?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]methyllycaconitine from alpha7 nAChR in tsA201 cells co-expressed with Ric3				J Med Chem 50: 4616-29 (2007) Article DOI: 10.1021/jm070574f BindingDB Entry DOI: 10.7270/Q2J67HRC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50220048 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:6.5,22.24,c:48,t:21,TEB:23:22:31.36.35:33,5:6:11:14.13.9| Show InChI InChI=1S/C46H56N4O6/c1-28(51)53-22-18-49-16-12-33-38(49)24-34-30(26-49)13-20-55-44-40(34)42(33)47(32-8-4-3-5-9-32)45-41-35-25-39-46(36-10-6-7-11-37(36)48(44)43(41)46)15-17-50(39,19-23-54-29(2)52)27-31(35)14-21-56-45/h3-11,13-14,33-35,38-45H,12,15-27H2,1-2H3/q+2/t33-,34-,35-,38-,39-,40+,41+,42+,43-,44+,45+,46+,49?,50?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from human 5HT3A receptor in HEK293 cells				J Med Chem 50: 4616-29 (2007) Article DOI: 10.1021/jm070574f BindingDB Entry DOI: 10.7270/Q2J67HRC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50220048 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:6.5,22.24,c:48,t:21,TEB:23:22:31.36.35:33,5:6:11:14.13.9| Show InChI InChI=1S/C46H56N4O6/c1-28(51)53-22-18-49-16-12-33-38(49)24-34-30(26-49)13-20-55-44-40(34)42(33)47(32-8-4-3-5-9-32)45-41-35-25-39-46(36-10-6-7-11-37(36)48(44)43(41)46)15-17-50(39,19-23-54-29(2)52)27-31(35)14-21-56-45/h3-11,13-14,33-35,38-45H,12,15-27H2,1-2H3/q+2/t33-,34-,35-,38-,39-,40+,41+,42+,43-,44+,45+,46+,49?,50?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha-7 nAChR in tsA201 cells coexpressed with Ric3 by FMP assay				J Med Chem 50: 4616-29 (2007) Article DOI: 10.1021/jm070574f BindingDB Entry DOI: 10.7270/Q2J67HRC
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50220048 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:6.5,22.24,c:48,t:21,TEB:23:22:31.36.35:33,5:6:11:14.13.9| Show InChI InChI=1S/C46H56N4O6/c1-28(51)53-22-18-49-16-12-33-38(49)24-34-30(26-49)13-20-55-44-40(34)42(33)47(32-8-4-3-5-9-32)45-41-35-25-39-46(36-10-6-7-11-37(36)48(44)43(41)46)15-17-50(39,19-23-54-29(2)52)27-31(35)14-21-56-45/h3-11,13-14,33-35,38-45H,12,15-27H2,1-2H3/q+2/t33-,34-,35-,38-,39-,40+,41+,42+,43-,44+,45+,46+,49?,50?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human glycine alpha-1 receptor in HEK293 cells by FMP assay				J Med Chem 50: 4616-29 (2007) Article DOI: 10.1021/jm070574f BindingDB Entry DOI: 10.7270/Q2J67HRC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50220048 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:6.5,22.24,c:48,t:21,TEB:23:22:31.36.35:33,5:6:11:14.13.9| Show InChI InChI=1S/C46H56N4O6/c1-28(51)53-22-18-49-16-12-33-38(49)24-34-30(26-49)13-20-55-44-40(34)42(33)47(32-8-4-3-5-9-32)45-41-35-25-39-46(36-10-6-7-11-37(36)48(44)43(41)46)15-17-50(39,19-23-54-29(2)52)27-31(35)14-21-56-45/h3-11,13-14,33-35,38-45H,12,15-27H2,1-2H3/q+2/t33-,34-,35-,38-,39-,40+,41+,42+,43-,44+,45+,46+,49?,50?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor expressed in HEK293 cells by FMP assay				J Med Chem 50: 4616-29 (2007) Article DOI: 10.1021/jm070574f BindingDB Entry DOI: 10.7270/Q2J67HRC
					More data for this Ligand-Target Pair