BDBM50220050 (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-bis(cyclohex-2-en-1-yl)-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-bis(ylium) dibromide::CHEMBL231056

SMILES: C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1

InChI Key: InChIKey=WIHLVGZFKARCLL-GHOHXXQJSA-N

Data: 3 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 7 hits for monomerid = 50220050   

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))	BDBM50220050 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1 |w:22.26,38.49,50.63,2.2,c:53,67,t:4,23,TEB:23:22:25.30.29:27| Show InChI InChI=1S/C50H60N4O2/c1-4-12-34(13-5-1)51-46-37-20-24-53(35-14-6-2-7-15-35)30-32-21-26-55-48(44(46)38(32)28-42(37)53)52-41-19-11-10-18-40(41)50-23-25-54(36-16-8-3-9-17-36)31-33-22-27-56-49(51)45(47(50)52)39(33)29-43(50)54/h1,4-6,8,10-14,16,18-19,21-22,35-39,42-49H,2-3,7,9,15,17,20,23-31H2/q+2/t35?,36?,37-,38-,39-,42-,43-,44+,45+,46+,47-,48+,49+,50+,53?,54?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	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
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50220050 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1 |w:22.26,38.49,50.63,2.2,c:53,67,t:4,23,TEB:23:22:25.30.29:27| Show InChI InChI=1S/C50H60N4O2/c1-4-12-34(13-5-1)51-46-37-20-24-53(35-14-6-2-7-15-35)30-32-21-26-55-48(44(46)38(32)28-42(37)53)52-41-19-11-10-18-40(41)50-23-25-54(36-16-8-3-9-17-36)31-33-22-27-56-49(51)45(47(50)52)39(33)29-43(50)54/h1,4-6,8,10-14,16,18-19,21-22,35-39,42-49H,2-3,7,9,15,17,20,23-31H2/q+2/t35?,36?,37-,38-,39-,42-,43-,44+,45+,46+,47-,48+,49+,50+,53?,54?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50220050 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1 |w:22.26,38.49,50.63,2.2,c:53,67,t:4,23,TEB:23:22:25.30.29:27| Show InChI InChI=1S/C50H60N4O2/c1-4-12-34(13-5-1)51-46-37-20-24-53(35-14-6-2-7-15-35)30-32-21-26-55-48(44(46)38(32)28-42(37)53)52-41-19-11-10-18-40(41)50-23-25-54(36-16-8-3-9-17-36)31-33-22-27-56-49(51)45(47(50)52)39(33)29-43(50)54/h1,4-6,8,10-14,16,18-19,21-22,35-39,42-49H,2-3,7,9,15,17,20,23-31H2/q+2/t35?,36?,37-,38-,39-,42-,43-,44+,45+,46+,47-,48+,49+,50+,53?,54?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	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))	BDBM50220050 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1 |w:22.26,38.49,50.63,2.2,c:53,67,t:4,23,TEB:23:22:25.30.29:27| Show InChI InChI=1S/C50H60N4O2/c1-4-12-34(13-5-1)51-46-37-20-24-53(35-14-6-2-7-15-35)30-32-21-26-55-48(44(46)38(32)28-42(37)53)52-41-19-11-10-18-40(41)50-23-25-54(36-16-8-3-9-17-36)31-33-22-27-56-49(51)45(47(50)52)39(33)29-43(50)54/h1,4-6,8,10-14,16,18-19,21-22,35-39,42-49H,2-3,7,9,15,17,20,23-31H2/q+2/t35?,36?,37-,38-,39-,42-,43-,44+,45+,46+,47-,48+,49+,50+,53?,54?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+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 alpha7nAChR co-expressed with human Ric3 in tsA201 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
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50220050 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1 |w:22.26,38.49,50.63,2.2,c:53,67,t:4,23,TEB:23:22:25.30.29:27| Show InChI InChI=1S/C50H60N4O2/c1-4-12-34(13-5-1)51-46-37-20-24-53(35-14-6-2-7-15-35)30-32-21-26-55-48(44(46)38(32)28-42(37)53)52-41-19-11-10-18-40(41)50-23-25-54(36-16-8-3-9-17-36)31-33-22-27-56-49(51)45(47(50)52)39(33)29-43(50)54/h1,4-6,8,10-14,16,18-19,21-22,35-39,42-49H,2-3,7,9,15,17,20,23-31H2/q+2/t35?,36?,37-,38-,39-,42-,43-,44+,45+,46+,47-,48+,49+,50+,53?,54?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50220050 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1 |w:22.26,38.49,50.63,2.2,c:53,67,t:4,23,TEB:23:22:25.30.29:27| Show InChI InChI=1S/C50H60N4O2/c1-4-12-34(13-5-1)51-46-37-20-24-53(35-14-6-2-7-15-35)30-32-21-26-55-48(44(46)38(32)28-42(37)53)52-41-19-11-10-18-40(41)50-23-25-54(36-16-8-3-9-17-36)31-33-22-27-56-49(51)45(47(50)52)39(33)29-43(50)54/h1,4-6,8,10-14,16,18-19,21-22,35-39,42-49H,2-3,7,9,15,17,20,23-31H2/q+2/t35?,36?,37-,38-,39-,42-,43-,44+,45+,46+,47-,48+,49+,50+,53?,54?/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	3.98E+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 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
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50220050 ((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...) Show SMILES C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1 |w:22.26,38.49,50.63,2.2,c:53,67,t:4,23,TEB:23:22:25.30.29:27| Show InChI InChI=1S/C50H60N4O2/c1-4-12-34(13-5-1)51-46-37-20-24-53(35-14-6-2-7-15-35)30-32-21-26-55-48(44(46)38(32)28-42(37)53)52-41-19-11-10-18-40(41)50-23-25-54(36-16-8-3-9-17-36)31-33-22-27-56-49(51)45(47(50)52)39(33)29-43(50)54/h1,4-6,8,10-14,16,18-19,21-22,35-39,42-49H,2-3,7,9,15,17,20,23-31H2/q+2/t35?,36?,37-,38-,39-,42-,43-,44+,45+,46+,47-,48+,49+,50+,53?,54?/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