BindingDB PrimarySearch

BDBM50143314 (+)-Epibatidine::(-)-epibatidine::(1R,2R,4S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (epibatidine)::CHEMBL298826::EPIBATIDINE

SMILES: Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2

InChI Key: InChIKey=NLPRAJRHRHZCQQ-IVZWLZJFSA-N

Data: 17 KI 1 IC50 4 Kd 1 EC50

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50143314
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 of rat cerebral cortex				J Med Chem 47: 4588-94 (2004) Article DOI: 10.1021/jm040078g BindingDB Entry DOI: 10.7270/Q2DZ092M
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes				Bioorg Med Chem Lett 14: 1889-96 (2004) Article DOI: 10.1016/j.bmcl.2004.02.007 BindingDB Entry DOI: 10.7270/Q2S75FR9
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079
Universit£ di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in Xenopus oocytes				Bioorg Med Chem Lett 14: 1889-96 (2004) Article DOI: 10.1016/j.bmcl.2004.02.007 BindingDB Entry DOI: 10.7270/Q2S75FR9
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes				Bioorg Med Chem Lett 14: 1889-96 (2004) Article DOI: 10.1016/j.bmcl.2004.02.007 BindingDB Entry DOI: 10.7270/Q2S75FR9
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
University of Copenhagen					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079
Universit£ di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes				Bioorg Med Chem Lett 14: 1889-96 (2004) Article DOI: 10.1016/j.bmcl.2004.02.007 BindingDB Entry DOI: 10.7270/Q2S75FR9
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
University of Copenhagen					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
University of Leicester Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine Binding protein (Aplysia Californica)	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	7.40	-10.9	n/a	n/a	n/a	n/a	n/a	7.4	20
UC San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...				Taylor Research Group (2014) BindingDB Entry DOI: 10.7270/Q2DR2T3Z
UC San Diego					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I] alpha bungarotoxin from rat alpha7 nACh receptor expressed in rat hippocampal membrane preincubated for 30 mins followed by ra...				Eur J Med Chem 108: 392-405 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
University of Copenhagen					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I] alpha bungarotoxin from human alpha7 nACh receptor incubated for 20 secs				Eur J Med Chem 108: 392-405 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-MLA binding to Nicotinic acetylcholine receptor alpha7 from rat brain membranes				Bioorg Med Chem Lett 14: 1889-96 (2004) Article DOI: 10.1016/j.bmcl.2004.02.007 BindingDB Entry DOI: 10.7270/Q2S75FR9
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha3beta4 nACh receptor (unknown origin) expressed in Xenopus oocytes				Eur J Med Chem 108: 392-405 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	n/a	n/a	28	n/a	n/a	7.4	20
UC San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...				Taylor Research Group (2014) BindingDB Entry DOI: 10.7270/Q2DR2T3Z
UC San Diego					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.67	n/a	n/a	n/a	7.4	25
Beactica AB					Assay Description Interaction assay using AChBP.				Biochemistry 49: 8143-54 (2010) Article DOI: 10.1021/bi1006354 BindingDB Entry DOI: 10.7270/Q2TB15HP
Beactica AB					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
Gifu University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.0835	n/a	n/a	n/a	7.4	25
Beactica AB					Assay Description Interaction assay using AChBP.				Biochemistry 49: 8143-54 (2010) Article DOI: 10.1021/bi1006354 BindingDB Entry DOI: 10.7270/Q2TB15HP
Beactica AB					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50143314 ((+)-Epibatidine \| (-)-epibatidine \| (1R,2R,4S)-2-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nACh receptor (unknown origin) expressed in Xenopus oocytes				Eur J Med Chem 108: 392-405 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair