BDBM50220059 2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-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-pentaen-35-ylidene]ethan-1-ol::CHEMBL388048

SMILES: OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1

InChI Key: InChIKey=VVWIDIIMLHNFOH-CTMSKLQYSA-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 = 50220059   

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))	BDBM50220059 (2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-19...) Show SMILES OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1 |c:38,t:14| Show InChI InChI=1S/C38H42N4O2/c43-16-11-23-20-39-14-10-26-32(39)18-27(23)29-22-41-31-9-5-4-8-30(31)38-13-15-40-21-24-12-17-44-37(34(36(38)41)28(24)19-33(38)40)42(35(26)29)25-6-2-1-3-7-25/h1-9,11-12,22,26-28,32-37,43H,10,13-21H2/b23-11-,29-22-/t26-,27?,28-,32-,33-,34+,35+,36-,37+,38+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+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]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))	BDBM50220059 (2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-19...) Show SMILES OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1 |c:38,t:14| Show InChI InChI=1S/C38H42N4O2/c43-16-11-23-20-39-14-10-26-32(39)18-27(23)29-22-41-31-9-5-4-8-30(31)38-13-15-40-21-24-12-17-44-37(34(36(38)41)28(24)19-33(38)40)42(35(26)29)25-6-2-1-3-7-25/h1-9,11-12,22,26-28,32-37,43H,10,13-21H2/b23-11-,29-22-/t26-,27?,28-,32-,33-,34+,35+,36-,37+,38+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+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]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))	BDBM50220059 (2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-19...) Show SMILES OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1 |c:38,t:14| Show InChI InChI=1S/C38H42N4O2/c43-16-11-23-20-39-14-10-26-32(39)18-27(23)29-22-41-31-9-5-4-8-30(31)38-13-15-40-21-24-12-17-44-37(34(36(38)41)28(24)19-33(38)40)42(35(26)29)25-6-2-1-3-7-25/h1-9,11-12,22,26-28,32-37,43H,10,13-21H2/b23-11-,29-22-/t26-,27?,28-,32-,33-,34+,35+,36-,37+,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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))	BDBM50220059 (2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-19...) Show SMILES OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1 |c:38,t:14| Show InChI InChI=1S/C38H42N4O2/c43-16-11-23-20-39-14-10-26-32(39)18-27(23)29-22-41-31-9-5-4-8-30(31)38-13-15-40-21-24-12-17-44-37(34(36(38)41)28(24)19-33(38)40)42(35(26)29)25-6-2-1-3-7-25/h1-9,11-12,22,26-28,32-37,43H,10,13-21H2/b23-11-,29-22-/t26-,27?,28-,32-,33-,34+,35+,36-,37+,38+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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))	BDBM50220059 (2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-19...) Show SMILES OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1 |c:38,t:14| Show InChI InChI=1S/C38H42N4O2/c43-16-11-23-20-39-14-10-26-32(39)18-27(23)29-22-41-31-9-5-4-8-30(31)38-13-15-40-21-24-12-17-44-37(34(36(38)41)28(24)19-33(38)40)42(35(26)29)25-6-2-1-3-7-25/h1-9,11-12,22,26-28,32-37,43H,10,13-21H2/b23-11-,29-22-/t26-,27?,28-,32-,33-,34+,35+,36-,37+,38+/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	2.50E+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))	BDBM50220059 (2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-19...) Show SMILES OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1 |c:38,t:14| Show InChI InChI=1S/C38H42N4O2/c43-16-11-23-20-39-14-10-26-32(39)18-27(23)29-22-41-31-9-5-4-8-30(31)38-13-15-40-21-24-12-17-44-37(34(36(38)41)28(24)19-33(38)40)42(35(26)29)25-6-2-1-3-7-25/h1-9,11-12,22,26-28,32-37,43H,10,13-21H2/b23-11-,29-22-/t26-,27?,28-,32-,33-,34+,35+,36-,37+,38+/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