BDBM50220042 (1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26-bis[(3,4-dimethoxyphenyl)methyl]-35-(2-hydroxyethylidene)-19-phenyl-21-oxa-8,14,19,26-tetraazadecacyclo[24.5.2.2^{11,14}.0^{1,27}.0^{2,7}.0^{8,31}.0^{10,18}.0^{13,17}.0^{20,30}.0^{24,29}]pentatriaconta-2,4,6,9,23-pentaene-14,26-diium dichloride::CHEMBL388049

SMILES: COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H](\C(C3)=C/CO)\C2=C\N3[C@H]5[C@H]6[C@H]7C[C@H]8[C@@]5(CC[N+]8(Cc5ccc(OC)c(OC)c5)CC7=CCO[C@H]6N([C@H]42)c2ccccc2)c2ccccc32)cc1OC

InChI Key: InChIKey=PZQLMQHTASUMAA-YFXCWRMNSA-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 = 50220042   

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))	BDBM50220042 ((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...) Show SMILES COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H](\C(C3)=C/CO)\C2=C\N3[C@H]5[C@H]6[C@H]7C[C@H]8[C@@]5(CC[N+]8(Cc5ccc(OC)c(OC)c5)CC7=CCO[C@H]6N([C@H]42)c2ccccc2)c2ccccc32)cc1OC |w:30.34,7.6,c:49,t:21,TEB:31:30:27.22.23:25,6:7:12:49.19.10| Show InChI InChI=1S/C56H64N4O6/c1-62-47-16-14-35(26-49(47)64-3)31-59-22-18-40-46(59)28-41(37(33-59)19-24-61)43-30-57-45-13-9-8-12-44(45)56-21-23-60(32-36-15-17-48(63-2)50(27-36)65-4)34-38-20-25-66-55(52(54(56)57)42(38)29-51(56)60)58(53(40)43)39-10-6-5-7-11-39/h5-17,19-20,26-27,30,40-42,46,51-55,61H,18,21-25,28-29,31-34H2,1-4H3/q+2/b37-19-,43-30-/t40-,41?,42-,46-,51-,52+,53+,54-,55+,56+,59?,60?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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))	BDBM50220042 ((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...) Show SMILES COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H](\C(C3)=C/CO)\C2=C\N3[C@H]5[C@H]6[C@H]7C[C@H]8[C@@]5(CC[N+]8(Cc5ccc(OC)c(OC)c5)CC7=CCO[C@H]6N([C@H]42)c2ccccc2)c2ccccc32)cc1OC |w:30.34,7.6,c:49,t:21,TEB:31:30:27.22.23:25,6:7:12:49.19.10| Show InChI InChI=1S/C56H64N4O6/c1-62-47-16-14-35(26-49(47)64-3)31-59-22-18-40-46(59)28-41(37(33-59)19-24-61)43-30-57-45-13-9-8-12-44(45)56-21-23-60(32-36-15-17-48(63-2)50(27-36)65-4)34-38-20-25-66-55(52(54(56)57)42(38)29-51(56)60)58(53(40)43)39-10-6-5-7-11-39/h5-17,19-20,26-27,30,40-42,46,51-55,61H,18,21-25,28-29,31-34H2,1-4H3/q+2/b37-19-,43-30-/t40-,41?,42-,46-,51-,52+,53+,54-,55+,56+,59?,60?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	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))	BDBM50220042 ((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...) Show SMILES COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H](\C(C3)=C/CO)\C2=C\N3[C@H]5[C@H]6[C@H]7C[C@H]8[C@@]5(CC[N+]8(Cc5ccc(OC)c(OC)c5)CC7=CCO[C@H]6N([C@H]42)c2ccccc2)c2ccccc32)cc1OC |w:30.34,7.6,c:49,t:21,TEB:31:30:27.22.23:25,6:7:12:49.19.10| Show InChI InChI=1S/C56H64N4O6/c1-62-47-16-14-35(26-49(47)64-3)31-59-22-18-40-46(59)28-41(37(33-59)19-24-61)43-30-57-45-13-9-8-12-44(45)56-21-23-60(32-36-15-17-48(63-2)50(27-36)65-4)34-38-20-25-66-55(52(54(56)57)42(38)29-51(56)60)58(53(40)43)39-10-6-5-7-11-39/h5-17,19-20,26-27,30,40-42,46,51-55,61H,18,21-25,28-29,31-34H2,1-4H3/q+2/b37-19-,43-30-/t40-,41?,42-,46-,51-,52+,53+,54-,55+,56+,59?,60?/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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50220042 ((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...) Show SMILES COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H](\C(C3)=C/CO)\C2=C\N3[C@H]5[C@H]6[C@H]7C[C@H]8[C@@]5(CC[N+]8(Cc5ccc(OC)c(OC)c5)CC7=CCO[C@H]6N([C@H]42)c2ccccc2)c2ccccc32)cc1OC |w:30.34,7.6,c:49,t:21,TEB:31:30:27.22.23:25,6:7:12:49.19.10| Show InChI InChI=1S/C56H64N4O6/c1-62-47-16-14-35(26-49(47)64-3)31-59-22-18-40-46(59)28-41(37(33-59)19-24-61)43-30-57-45-13-9-8-12-44(45)56-21-23-60(32-36-15-17-48(63-2)50(27-36)65-4)34-38-20-25-66-55(52(54(56)57)42(38)29-51(56)60)58(53(40)43)39-10-6-5-7-11-39/h5-17,19-20,26-27,30,40-42,46,51-55,61H,18,21-25,28-29,31-34H2,1-4H3/q+2/b37-19-,43-30-/t40-,41?,42-,46-,51-,52+,53+,54-,55+,56+,59?,60?/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	3.16E+4	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
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50220042 ((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...) Show SMILES COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H](\C(C3)=C/CO)\C2=C\N3[C@H]5[C@H]6[C@H]7C[C@H]8[C@@]5(CC[N+]8(Cc5ccc(OC)c(OC)c5)CC7=CCO[C@H]6N([C@H]42)c2ccccc2)c2ccccc32)cc1OC |w:30.34,7.6,c:49,t:21,TEB:31:30:27.22.23:25,6:7:12:49.19.10| Show InChI InChI=1S/C56H64N4O6/c1-62-47-16-14-35(26-49(47)64-3)31-59-22-18-40-46(59)28-41(37(33-59)19-24-61)43-30-57-45-13-9-8-12-44(45)56-21-23-60(32-36-15-17-48(63-2)50(27-36)65-4)34-38-20-25-66-55(52(54(56)57)42(38)29-51(56)60)58(53(40)43)39-10-6-5-7-11-39/h5-17,19-20,26-27,30,40-42,46,51-55,61H,18,21-25,28-29,31-34H2,1-4H3/q+2/b37-19-,43-30-/t40-,41?,42-,46-,51-,52+,53+,54-,55+,56+,59?,60?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+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))	BDBM50220042 ((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26...) Show SMILES COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H](\C(C3)=C/CO)\C2=C\N3[C@H]5[C@H]6[C@H]7C[C@H]8[C@@]5(CC[N+]8(Cc5ccc(OC)c(OC)c5)CC7=CCO[C@H]6N([C@H]42)c2ccccc2)c2ccccc32)cc1OC |w:30.34,7.6,c:49,t:21,TEB:31:30:27.22.23:25,6:7:12:49.19.10| Show InChI InChI=1S/C56H64N4O6/c1-62-47-16-14-35(26-49(47)64-3)31-59-22-18-40-46(59)28-41(37(33-59)19-24-61)43-30-57-45-13-9-8-12-44(45)56-21-23-60(32-36-15-17-48(63-2)50(27-36)65-4)34-38-20-25-66-55(52(54(56)57)42(38)29-51(56)60)58(53(40)43)39-10-6-5-7-11-39/h5-17,19-20,26-27,30,40-42,46,51-55,61H,18,21-25,28-29,31-34H2,1-4H3/q+2/b37-19-,43-30-/t40-,41?,42-,46-,51-,52+,53+,54-,55+,56+,59?,60?/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