BDBM50066789 3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine::A-85380,5-Iodo::A-85380-I::CHEMBL123433

SMILES: Ic1cncc(OC[C@@H]2CCN2)c1

InChI Key: InChIKey=RKVRGRXOYDTUEY-QMMMGPOBSA-N

Data: 15 KI  1 EC50

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 16 hits for monomerid = 50066789   

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 (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
n-AChR (RAT)	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain				J Med Chem 41: 3690-8 (1998) Article DOI: 10.1021/jm980170a BindingDB Entry DOI: 10.7270/Q2HM59ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 98-107 (2004) Article DOI: 10.1124/jpet.104.066787 BindingDB Entry DOI: 10.7270/Q2XG9PQX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 98-107 (2004) Article DOI: 10.1124/jpet.104.066787 BindingDB Entry DOI: 10.7270/Q2XG9PQX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California - Irvine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain homogenate by scintillation counting				Bioorg Med Chem Lett 22: 7610-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.012 BindingDB Entry DOI: 10.7270/Q20V8GNK
					More data for this Ligand-Target Pair
n-AChR (RAT)	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 98-107 (2004) Article DOI: 10.1124/jpet.104.066787 BindingDB Entry DOI: 10.7270/Q2XG9PQX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 98-107 (2004) Article DOI: 10.1124/jpet.104.066787 BindingDB Entry DOI: 10.7270/Q2XG9PQX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 98-107 (2004) Article DOI: 10.1124/jpet.104.066787 BindingDB Entry DOI: 10.7270/Q2XG9PQX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 98-107 (2004) Article DOI: 10.1124/jpet.104.066787 BindingDB Entry DOI: 10.7270/Q2XG9PQX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain membrane				J Med Chem 56: 593-624 (2013) Article DOI: 10.1021/jm3011433 BindingDB Entry DOI: 10.7270/Q23B61GZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 98-107 (2004) Article DOI: 10.1124/jpet.104.066787 BindingDB Entry DOI: 10.7270/Q2XG9PQX
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Muscle (RAT)	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin)				J Med Chem 56: 593-624 (2013) Article DOI: 10.1021/jm3011433 BindingDB Entry DOI: 10.7270/Q23B61GZ
					More data for this Ligand-Target Pair