BDBM50264117 3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene]-3,4,5,6-tetrahydro-[2,3']bipyridinyl-1-ium

SMILES: COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1

InChI Key: InChIKey=KXAAIPFSUGPVMQ-GXDHUFHOSA-O

Data: 6 KI  2 Kd  2 EC50

PDB links: 1 PDB ID matches this monomer.

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 10 hits for monomerid = 50264117   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAchR expressed in SH-EP1 cells				Bioorg Med Chem Lett 22: 1179-86 (2012) Article DOI: 10.1016/j.bmcl.2011.11.090 BindingDB Entry DOI: 10.7270/Q2VD70QK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after 3 hrs				Eur J Med Chem 45: 2433-46 (2010) Article DOI: 10.1016/j.ejmech.2010.02.027 BindingDB Entry DOI: 10.7270/Q27081M9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after 3 hrs				Eur J Med Chem 45: 2433-46 (2010) Article DOI: 10.1016/j.ejmech.2010.02.027 BindingDB Entry DOI: 10.7270/Q27081M9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs				Eur J Med Chem 45: 2433-46 (2010) Article DOI: 10.1016/j.ejmech.2010.02.027 BindingDB Entry DOI: 10.7270/Q27081M9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs				Eur J Med Chem 45: 2433-46 (2010) Article DOI: 10.1016/j.ejmech.2010.02.027 BindingDB Entry DOI: 10.7270/Q27081M9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept Inc Curated by ChEMBL					Assay Description Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting				Eur J Med Chem 46: 5625-35 (2011) Article DOI: 10.1016/j.ejmech.2011.09.033 BindingDB Entry DOI: 10.7270/Q2639Q4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Targacept Inc Curated by ChEMBL					Assay Description Agonist activity at rat recombinant alpha7 nAChR expressed in GH4C1 cells by patch clamp technique				Eur J Med Chem 46: 5625-35 (2011) Article DOI: 10.1016/j.ejmech.2011.09.033 BindingDB Entry DOI: 10.7270/Q2639Q4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR				J Med Chem 51: 6293-302 (2008) Article DOI: 10.1021/jm800607u BindingDB Entry DOI: 10.7270/Q2NZ88JP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Agonist activity at human cloned wild-type alpha7 nAChR expressed in Xenopus laevis oocytes assessed as channel opening by voltage clamp electrophysi...				J Med Chem 51: 6293-302 (2008) Article DOI: 10.1021/jm800607u BindingDB Entry DOI: 10.7270/Q2NZ88JP
					More data for this Ligand-Target Pair
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50264117 (3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...) Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
Targacept Inc Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from Lymnaea stagnalis N-terminal FLAG-tagged AChBP expressed in HEK293 cells after 2 hrs by liquid scintillation co...				Eur J Med Chem 46: 5625-35 (2011) Article DOI: 10.1016/j.ejmech.2011.09.033 BindingDB Entry DOI: 10.7270/Q2639Q4D
					More data for this Ligand-Target Pair