BDBM50056147 2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine::ABT-089::CHEMBL127071

SMILES: Cc1ncccc1OC[C@@H]1CCCN1

InChI Key: InChIKey=YRVIKLBSVVNSHF-JTQLQIEISA-N

Data: 6 KI  3 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 9 hits for monomerid = 50056147   

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-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50056147 (2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...) Show SMILES Cc1ncccc1OC[C@@H]1CCCN1 Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human nAChR alpha2beta4 receptor expressed in human K177 cells				J Med Chem 54: 7678-92 (2011) Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50056147 (2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...) Show SMILES Cc1ncccc1OC[C@@H]1CCCN1 Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 40: 4169-94 (1998) Article DOI: 10.1021/jm970377o BindingDB Entry DOI: 10.7270/Q2QF8TH9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50056147 (2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...) Show SMILES Cc1ncccc1OC[C@@H]1CCCN1 Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method				J Med Chem 63: 2833-2853 (2020)
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50056147 (2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...) Show SMILES Cc1ncccc1OC[C@@H]1CCCN1 Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Affinity for Nicotinic acetylcholine receptor alpha7				J Med Chem 40: 4169-94 (1998) Article DOI: 10.1021/jm970377o BindingDB Entry DOI: 10.7270/Q2QF8TH9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50056147 (2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...) Show SMILES Cc1ncccc1OC[C@@H]1CCCN1 Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting method				J Med Chem 63: 2833-2853 (2020)
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50056147 (2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...) Show SMILES Cc1ncccc1OC[C@@H]1CCCN1 Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Bindind affinity value obtained by measuring the displacement of radioligand [125I]-alpha-bungarotoxin from K-28 cells stably express human Nicotinic...				J Med Chem 40: 385-90 (1997) Article DOI: 10.1021/jm960233u BindingDB Entry DOI: 10.7270/Q2M61JC6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50056147 (2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...) Show SMILES Cc1ncccc1OC[C@@H]1CCCN1 Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human nAChR alpha2beta4 receptor expressed in K177 cells assessed as stimulation of calcium efflux				J Med Chem 54: 7678-92 (2011) Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646
					More data for this Ligand-Target Pair
Acetylcholine receptor (Torpedo californica)	BDBM50056147 (2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...) Show SMILES Cc1ncccc1OC[C@@H]1CCCN1 Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)				J Med Chem 40: 4169-94 (1998) Article DOI: 10.1021/jm970377o BindingDB Entry DOI: 10.7270/Q2QF8TH9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50056147 (2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...) Show SMILES Cc1ncccc1OC[C@@H]1CCCN1 Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human nAChR alpha2beta4 receptor expressed in K177 cells assessed as stimulation of calcium efflux				J Med Chem 54: 7678-92 (2011) Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646
					More data for this Ligand-Target Pair